data_2n2k_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 2n2k _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.02 35.74 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.488 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.995 2.684 . . . . 0.0 108.923 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.681 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.42 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.523 4.889 . . . . 0.0 108.807 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.466 -3.159 . . . . 0.0 105.484 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.24 Favored 'General case' 0 N--CA 1.504 2.247 1 O-C-N 129.335 4.147 . . . . 0.0 108.085 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.775 -1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.106 0.879 . . . . 0.0 112.57 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.048 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.46 80.36 Favored Glycine 0 C--N 1.298 -1.532 0 O-C-N 120.068 -1.645 . . . . 0.0 116.115 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.634 2.459 . . . . 0.0 106.052 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.648 3.092 . . . . 0.0 109.033 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.7 36.77 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.219 -1.792 . . . . 0.0 108.208 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.03 44.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.427 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.235 4.084 . . . . 0.0 103.558 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.688 3.118 . . . . 0.0 111.237 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.4 38.93 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 122.549 2.166 . . . . 0.0 111.973 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.18 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.934 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.354 -1.738 . . . . 0.0 109.911 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.45 21.2 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.33 -37.21 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.218 2.824 . . . . 0.0 110.344 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.4 79.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.54 86.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 124.325 1.05 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.25 -46.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.077 1.486 . . . . 0.0 109.305 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.98 83.85 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.763 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.03 87.17 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 117.985 0.357 . . . . 0.0 111.214 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 120.388 -1.445 . . . . 0.0 110.785 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.63 79.11 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.495 2.569 . . . . 0.0 109.016 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.71 66.36 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.661 -1.609 . . . . 0.0 111.772 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.49 17.93 Favored 'General case' 0 C--O 1.279 2.631 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 123.108 2.685 . . . . 0.0 113.978 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.288 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.38 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.853 -1.139 . . . . 0.0 111.007 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.73 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.14 2.56 . . . . 0.0 110.939 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.66 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.858 0.925 . . . . 0.0 113.407 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.51 28.87 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.453 -1.404 . . . . 0.0 112.079 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 124.292 1.996 . . . . 0.0 115.606 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.99 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.422 1.01 . . . . 0.0 109.936 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.098 1.499 . . . . 0.0 111.906 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.67 18.9 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.766 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.57 60.92 Favored Glycine 0 N--CA 1.433 -1.556 0 C-N-CA 128.386 2.898 . . . . 0.0 117.514 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.37 37.43 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.688 -1.149 . . . . 0.0 110.048 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.04 36.68 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.117 1.51 . . . . 0.0 109.953 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.14 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.94 85.15 Favored Glycine 0 CA--C 1.493 -1.337 0 N-CA-C 116.093 1.197 . . . . 0.0 116.093 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.51 17.12 Favored 'General case' 0 C--O 1.251 1.136 0 O-C-N 120.051 -1.853 . . . . 0.0 108.001 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.25 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.362 -1.735 . . . . 0.0 112.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.3 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.469 1.128 . . . . 0.0 110.721 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.77 51.27 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.27 18.6 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.538 1.972 . . . . 0.0 111.208 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.38 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.057 0 CA-C-O 115.154 -2.355 . . . . 0.0 106.209 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.044 2.09 . . . . 0.0 109.521 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -54.72 143.04 26.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.18 1.467 . . . . 0.0 109.245 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.15 10.64 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.28 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.64 19.12 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.46 Favored 'General case' 0 C--N 1.285 -2.203 0 O-C-N 127.456 2.973 . . . . 0.0 105.882 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.854 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.53 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.212 0.53 . . . . 0.0 109.807 178.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.11 36.94 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.214 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.505 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.941 2.651 . . . . 0.0 108.883 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.47 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 130.445 4.84 . . . . 0.0 108.74 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.472 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.242 1 O-C-N 129.366 4.166 . . . . 0.0 108.098 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.96 49.67 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.006 0.816 . . . . 0.0 112.608 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.18 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.819 -2.352 . . . . 0.0 111.993 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.5 80.29 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.098 -1.626 . . . . 0.0 116.133 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.1 34.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.602 2.439 . . . . 0.0 106.026 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.02 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 127.555 3.035 . . . . 0.0 109.072 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.53 139.76 36.75 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.2 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.364 -2.255 . . . . 0.0 108.472 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.19 4.056 . . . . 0.0 103.533 174.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 O-C-N 127.713 3.133 . . . . 0.0 111.177 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.45 37.58 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.281 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.47 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 122.509 2.14 . . . . 0.0 111.986 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.889 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.312 -1.755 . . . . 0.0 109.863 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 127.218 2.824 . . . . 0.0 110.397 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.342 -0.849 . . . . 0.0 110.694 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.43 86.96 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.34 1.056 . . . . 0.0 111.486 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.41 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.054 1.471 . . . . 0.0 109.326 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.93 83.72 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.785 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.34 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 117.979 0.354 . . . . 0.0 111.212 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.387 0 O-C-N 120.413 -1.429 . . . . 0.0 110.791 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.43 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 125.518 2.58 . . . . 0.0 109.022 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.67 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.711 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.94 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.3 8.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.071 2.669 . . . . 0.0 113.972 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.35 90.16 Favored Glycine 0 CA--C 1.478 -2.243 0 N-CA-C 118.904 2.321 . . . . 0.0 118.904 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.81 83.44 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.754 -1.178 . . . . 0.0 110.981 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.156 2.571 . . . . 0.0 110.908 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.12 92.63 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.88 0.937 . . . . 0.0 113.443 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 119.975 -1.703 . . . . 0.0 112.198 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.42 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.513 -1.367 . . . . 0.0 112.01 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.282 1.991 . . . . 0.0 115.573 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.18 115.93 23.98 Favored 'General case' 0 C--O 1.296 3.54 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.27 50.95 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 119.456 1.025 . . . . 0.0 109.951 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 125.174 1.546 . . . . 0.0 111.955 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.02 19.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.267 -2.242 . . . . 0.0 110.758 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.87 21.47 61.11 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 128.378 2.894 . . . . 0.0 117.466 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.28 34.61 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.44 37.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.038 -175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 125.079 1.487 . . . . 0.0 109.956 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.26 29.21 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 120.689 3.588 . . . . 0.0 120.689 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.92 85.2 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.096 1.198 . . . . 0.0 116.096 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.006 -1.879 . . . . 0.0 108.009 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.185 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.29 70.73 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.458 1.123 . . . . 0.0 110.698 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.39 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.655 -1.164 . . . . 0.0 112.986 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.39 18.47 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 121.575 1.988 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.4 30.3 Favored 'Isoleucine or valine' 0 C--O 1.267 2.013 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.166 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.34 169.57 8.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.161 2.163 . . . . 0.0 109.509 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -54.8 143.03 26.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.23 1.491 . . . . 0.0 109.251 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.66 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.722 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.445 2.966 . . . . 0.0 105.876 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.521 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.93 28.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 178.474 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.49 36.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.227 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.51 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.978 2.674 . . . . 0.0 108.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.16 49.53 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.479 4.862 . . . . 0.0 108.791 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.473 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 129.406 4.191 . . . . 0.0 108.04 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.88 49.25 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.088 0.868 . . . . 0.0 112.603 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 14.99 30.28 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.031 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.45 80.33 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.145 -1.597 . . . . 0.0 116.123 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.07 34.39 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.8 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.689 2.493 . . . . 0.0 106.021 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 127.598 3.061 . . . . 0.0 109.069 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.7 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.262 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.0 44.22 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.481 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.002 1 O-C-N 129.167 4.042 . . . . 0.0 103.561 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.727 3.142 . . . . 0.0 111.209 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 112.122 -2.308 . . . . 0.0 106.294 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.22 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.604 2.203 . . . . 0.0 111.911 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.926 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.87 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.39 21.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.24 77.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 O-C-N 127.163 2.789 . . . . 0.0 110.399 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.42 79.27 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.325 -0.859 . . . . 0.0 110.701 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 124.293 1.037 . . . . 0.0 111.578 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.058 1.473 . . . . 0.0 109.335 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.97 83.87 Favored 'General case' 0 C--O 1.256 1.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.781 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.4 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.016 0.371 . . . . 0.0 111.231 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.324 -1.485 . . . . 0.0 110.798 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.37 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 125.467 2.556 . . . . 0.0 109.004 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.53 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.757 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.42 17.97 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.38 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.115 2.689 . . . . 0.0 113.977 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.907 2.323 . . . . 0.0 118.907 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.027 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.114 2.543 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.261 1.663 0 O-C-N 122.885 0.94 . . . . 0.0 113.44 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.56 63.64 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 120.015 -1.678 . . . . 0.0 112.224 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.45 28.8 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.482 -1.386 . . . . 0.0 112.037 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 124.294 1.997 . . . . 0.0 115.607 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.544 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 O-C-N 125.199 1.562 . . . . 0.0 111.854 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.806 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.01 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.365 2.888 . . . . 0.0 117.506 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.31 34.59 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.057 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.07 36.63 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 125.077 1.486 . . . . 0.0 109.951 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.2 30.05 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.697 3.591 . . . . 0.0 120.697 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.29 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.109 1.204 . . . . 0.0 116.109 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.58 16.98 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 120.017 -1.873 . . . . 0.0 107.983 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.23 79.31 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.039 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.174 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.34 70.45 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.455 1.122 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.44 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.029 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.38 18.56 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.52 1.964 . . . . 0.0 111.224 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.42 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.125 -2.369 . . . . 0.0 106.172 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.55 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.067 2.104 . . . . 0.0 109.507 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -54.76 143.03 26.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.222 1.486 . . . . 0.0 109.244 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.19 159.45 34.63 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.11 126.66 52.15 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.759 -2.543 . . . . 0.0 105.7 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.402 2.939 . . . . 0.0 105.924 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.819 0 CA-C-O 117.577 -1.202 . . . . 0.0 111.498 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.101 0.477 . . . . 0.0 109.845 178.454 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.91 37.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.531 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 126.959 2.662 . . . . 0.0 108.893 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.95 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.433 4.833 . . . . 0.0 108.758 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.503 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.236 1 O-C-N 129.41 4.194 . . . . 0.0 108.062 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.94 49.56 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.086 0.866 . . . . 0.0 112.602 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.27 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.45 80.31 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.142 -1.599 . . . . 0.0 116.188 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.631 2.457 . . . . 0.0 106.044 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.01 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.613 3.07 . . . . 0.0 109.032 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.76 36.67 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.265 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.385 -2.245 . . . . 0.0 108.428 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.42 Favored 'General case' 0 N--CA 1.5 2.041 1 O-C-N 129.243 4.09 . . . . 0.0 103.56 174.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.723 3.139 . . . . 0.0 111.24 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.5 37.76 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.144 -2.298 . . . . 0.0 106.294 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.51 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.589 2.193 . . . . 0.0 111.918 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.948 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.868 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.149 2.781 . . . . 0.0 110.368 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.349 -0.844 . . . . 0.0 110.727 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.93 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.315 1.046 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.019 1.449 . . . . 0.0 109.324 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.08 87.39 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 117.957 0.344 . . . . 0.0 111.227 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.3 86.98 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.405 -1.435 . . . . 0.0 110.81 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.45 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.59 79.36 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.461 2.553 . . . . 0.0 108.984 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.54 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.747 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.43 17.97 Favored 'General case' 0 C--O 1.279 2.654 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.091 2.678 . . . . 0.0 113.969 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.45 90.08 Favored Glycine 0 CA--C 1.478 -2.25 0 N-CA-C 118.917 2.327 . . . . 0.0 118.917 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.85 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.797 -1.161 . . . . 0.0 111.017 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.48 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.142 2.561 . . . . 0.0 110.916 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.262 1.682 0 O-C-N 122.892 0.943 . . . . 0.0 113.393 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.14 -15.59 63.65 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.986 -1.696 . . . . 0.0 112.221 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.522 -1.361 . . . . 0.0 112.045 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 124.332 2.015 . . . . 0.0 115.616 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.02 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.502 1.046 . . . . 0.0 110.01 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.89 72.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.205 1.566 . . . . 0.0 111.904 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.32 129.67 18.84 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.74 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.61 60.99 Favored Glycine 0 N--CA 1.432 -1.603 0 C-N-CA 128.365 2.888 . . . . 0.0 117.505 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.4 37.46 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.991 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.74 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 125.096 1.497 . . . . 0.0 109.935 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.66 Favored 'General case' 0 C--O 1.266 1.923 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.84 85.29 Favored Glycine 0 CA--C 1.491 -1.439 0 N-CA-C 116.119 1.208 . . . . 0.0 116.119 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.62 16.99 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 119.978 -1.896 . . . . 0.0 108.01 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.56 11.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.19 79.24 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.167 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.26 70.48 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.497 1.142 . . . . 0.0 110.736 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.65 51.59 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.965 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.37 18.31 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.582 1.992 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.048 0 CA-C-O 115.134 -2.365 . . . . 0.0 106.167 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.07 2.106 . . . . 0.0 109.533 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 123.223 1.487 . . . . 0.0 109.235 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 117.896 2.554 . . . . 0.0 117.896 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.56 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.14 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.65 19.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.752 -2.546 . . . . 0.0 105.667 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.388 2.93 . . . . 0.0 105.903 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.83 30.87 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.482 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.196 0.522 . . . . 0.0 109.86 178.452 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.78 37.38 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.238 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.506 -179.061 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.944 2.652 . . . . 0.0 108.952 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.662 1 O-C-N 130.455 4.847 . . . . 0.0 108.774 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.499 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.53 41.27 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.388 4.18 . . . . 0.0 108.067 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.4 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.98 49.75 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.048 0.843 . . . . 0.0 112.602 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.5 80.35 Favored Glycine 0 C--N 1.298 -1.554 0 O-C-N 120.162 -1.586 . . . . 0.0 116.145 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.78 55.33 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.56 2.412 . . . . 0.0 106.018 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.615 3.072 . . . . 0.0 109.039 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.77 36.71 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.281 -1.767 . . . . 0.0 108.224 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.449 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.45 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.229 4.08 . . . . 0.0 103.565 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 O-C-N 127.638 3.086 . . . . 0.0 111.252 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.8 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.188 -2.278 . . . . 0.0 106.351 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.43 39.49 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.573 2.182 . . . . 0.0 111.933 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.889 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.905 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.28 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.176 2.798 . . . . 0.0 110.409 175.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.42 79.13 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.374 -0.829 . . . . 0.0 110.764 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 124.316 1.046 . . . . 0.0 111.495 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.02 1.45 . . . . 0.0 109.297 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -38.01 83.85 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.756 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.004 0.366 . . . . 0.0 111.209 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.0 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.404 -1.435 . . . . 0.0 110.815 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.2 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 125.522 2.582 . . . . 0.0 109.037 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.716 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.151 2.705 . . . . 0.0 113.957 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.3 90.17 Favored Glycine 0 CA--C 1.478 -2.258 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.022 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.9 79.42 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.126 2.551 . . . . 0.0 110.925 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.653 0 O-C-N 122.884 0.939 . . . . 0.0 113.423 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.727 0 O-C-N 120.0 -1.688 . . . . 0.0 112.199 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.44 28.87 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.523 -1.361 . . . . 0.0 112.021 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.266 1.984 . . . . 0.0 115.67 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.26 50.95 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.481 1.037 . . . . 0.0 109.995 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.148 1.53 . . . . 0.0 111.904 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.94 19.73 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.715 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.374 2.893 . . . . 0.0 117.551 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.34 37.49 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.033 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.04 36.67 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.015 1.447 . . . . 0.0 109.972 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.2 29.94 Favored 'General case' 0 C--O 1.265 1.881 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.28 Favored Glycine 0 CA--C 1.492 -1.389 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.58 17.01 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.002 -1.881 . . . . 0.0 108.002 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.25 79.39 Favored 'General case' 0 C--O 1.202 -1.409 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.76 Favored 'General case' 0 C--O 1.269 2.087 0 C-N-CA 117.343 -1.743 . . . . 0.0 112.152 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.26 70.61 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.493 1.139 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.66 51.56 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.953 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.41 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 121.595 1.998 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.138 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.08 2.113 . . . . 0.0 109.527 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.71 143.03 26.42 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.218 1.485 . . . . 0.0 109.257 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.68 52.16 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.7 19.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 114.717 -2.563 . . . . 0.0 105.72 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.72 46.55 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.41 2.944 . . . . 0.0 105.873 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.523 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.181 0.515 . . . . 0.0 109.769 178.464 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.87 38.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.252 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.476 -179.208 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 126.98 2.675 . . . . 0.0 108.894 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.436 4.835 . . . . 0.0 108.761 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.17 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.485 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.54 41.23 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.338 4.149 . . . . 0.0 108.04 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.73 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.081 0.863 . . . . 0.0 112.596 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.823 -2.351 . . . . 0.0 112.013 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.58 80.25 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.119 -1.613 . . . . 0.0 116.13 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.06 34.52 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.77 55.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 126.615 2.447 . . . . 0.0 106.045 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.55 141.95 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.587 3.055 . . . . 0.0 109.03 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.39 139.81 36.54 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.284 -1.766 . . . . 0.0 108.198 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.02 44.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.467 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.19 44.38 Favored 'General case' 0 N--CA 1.499 1.977 1 O-C-N 129.236 4.085 . . . . 0.0 103.595 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.67 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.74 3.15 . . . . 0.0 111.205 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.54 37.82 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.31 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.29 Favored 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 122.582 2.188 . . . . 0.0 111.953 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.872 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.885 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.38 21.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.172 2.795 . . . . 0.0 110.355 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.4 79.04 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.335 -0.853 . . . . 0.0 110.68 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.8 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.304 1.042 . . . . 0.0 111.54 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.4 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.059 1.474 . . . . 0.0 109.324 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.97 83.78 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.06 87.16 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.024 0.374 . . . . 0.0 111.217 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.26 86.85 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.367 -1.458 . . . . 0.0 110.757 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.45 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.549 2.595 . . . . 0.0 109.022 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.42 17.95 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.12 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 123.097 2.68 . . . . 0.0 113.963 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.839 2.295 . . . . 0.0 118.839 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.85 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.158 2.572 . . . . 0.0 110.93 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.2 92.78 Favored 'Trans proline' 0 C--O 1.262 1.692 0 C-N-CA 120.709 0.939 . . . . 0.0 113.429 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.16 -15.6 63.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 119.963 -1.711 . . . . 0.0 112.185 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.47 28.91 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.551 -1.343 . . . . 0.0 112.042 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.276 1.989 . . . . 0.0 115.642 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.97 24.04 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 119.476 1.034 . . . . 0.0 109.975 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.21 1.569 . . . . 0.0 111.862 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.02 19.39 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.23 -2.259 . . . . 0.0 110.753 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 128.355 2.883 . . . . 0.0 117.504 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.44 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.056 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.03 36.69 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.014 1.446 . . . . 0.0 109.961 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.86 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.11 0 O-C-N 120.002 -1.881 . . . . 0.0 108.026 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.24 79.32 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.61 70.79 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.312 -1.755 . . . . 0.0 112.172 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.29 70.69 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.451 1.12 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 117.623 -1.18 . . . . 0.0 112.939 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.33 18.46 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 121.584 1.993 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.071 2.107 . . . . 0.0 109.487 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 20.0 pttt -54.75 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.21 1.481 . . . . 0.0 109.266 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.19 10.65 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.57 34.43 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.71 52.16 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.699 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.463 2.977 . . . . 0.0 105.875 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.81 30.83 Favored 'General case' 0 C--O 1.282 2.8 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.51 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.197 0.522 . . . . 0.0 109.805 178.489 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.8 37.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.307 0 CA-C-O 113.354 -3.212 . . . . 0.0 105.497 179.479 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.961 2.663 . . . . 0.0 108.941 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.08 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.441 4.838 . . . . 0.0 108.758 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.503 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.47 41.2 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.369 4.168 . . . . 0.0 108.078 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.97 49.72 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.034 0.834 . . . . 0.0 112.603 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.03 30.15 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.005 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.44 80.38 Favored Glycine 0 C--N 1.298 -1.58 0 O-C-N 120.17 -1.581 . . . . 0.0 116.171 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.03 34.47 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 126.576 2.422 . . . . 0.0 106.022 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.99 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 127.574 3.046 . . . . 0.0 109.008 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.79 36.59 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.26 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.49 154.02 44.33 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.395 -2.241 . . . . 0.0 108.454 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.36 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.16 4.037 . . . . 0.0 103.57 174.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 O-C-N 127.676 3.11 . . . . 0.0 111.224 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.7 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.342 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.41 39.09 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.556 2.171 . . . . 0.0 111.974 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.21 59.16 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.882 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 117.369 -1.732 . . . . 0.0 109.854 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 O-C-N 127.19 2.806 . . . . 0.0 110.374 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.55 -40.53 79.09 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.341 -0.849 . . . . 0.0 110.73 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.4 -44.51 87.22 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 111.491 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.46 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.033 1.458 . . . . 0.0 109.281 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.04 83.85 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.03 87.26 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.001 0.364 . . . . 0.0 111.255 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.427 -1.421 . . . . 0.0 110.799 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.54 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.484 2.564 . . . . 0.0 108.978 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.782 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.41 17.92 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.093 2.679 . . . . 0.0 113.934 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.479 -2.215 0 N-CA-C 118.825 2.29 . . . . 0.0 118.825 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.86 83.37 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.776 -1.17 . . . . 0.0 111.043 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.12 2.546 . . . . 0.0 110.975 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.25 -32.12 92.73 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.702 0.935 . . . . 0.0 113.448 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.977 -1.702 . . . . 0.0 112.166 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.48 28.87 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.514 -1.366 . . . . 0.0 112.055 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.64 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.294 1.997 . . . . 0.0 115.625 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.99 24.09 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.65 130.25 51.08 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.492 1.042 . . . . 0.0 109.991 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.165 1.54 . . . . 0.0 111.916 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.65 18.86 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.52 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 112.237 -2.256 . . . . 0.0 110.777 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.88 21.46 61.1 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.351 2.881 . . . . 0.0 117.541 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.63 46.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.52 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.025 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.71 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 125.108 1.505 . . . . 0.0 109.981 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.18 29.81 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.28 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.088 1.195 . . . . 0.0 116.088 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.59 16.99 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.993 -1.886 . . . . 0.0 107.976 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.62 164.57 11.67 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.22 79.23 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.57 70.73 Favored 'General case' 0 C--O 1.269 2.083 0 C-N-CA 117.263 -1.775 . . . . 0.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 122.51 1.147 . . . . 0.0 110.747 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.0 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.36 18.48 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 121.543 1.974 . . . . 0.0 111.175 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.107 -2.378 . . . . 0.0 106.185 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.091 2.12 . . . . 0.0 109.499 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -54.75 143.02 26.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.211 1.482 . . . . 0.0 109.25 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.11 10.61 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.54 34.52 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.68 52.11 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.66 19.1 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.714 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.35 2.906 . . . . 0.0 105.891 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.77 30.77 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.471 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.93 28.45 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 109.817 178.446 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.21 36.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.473 -179.744 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.956 2.66 . . . . 0.0 108.902 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.02 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.512 2.661 1 O-C-N 130.425 4.828 . . . . 0.0 108.803 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.439 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.49 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.4 4.187 . . . . 0.0 108.067 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.9 49.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.097 0.873 . . . . 0.0 112.544 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.07 30.02 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.009 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.149 -1.594 . . . . 0.0 116.128 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.08 34.36 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 175.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.75 55.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.605 2.441 . . . . 0.0 106.049 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.02 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.596 3.06 . . . . 0.0 109.05 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.83 36.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.232 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.03 44.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.81 121.19 44.39 Favored 'General case' 0 N--CA 1.498 1.958 1 O-C-N 129.181 4.05 . . . . 0.0 103.596 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.62 15.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.698 3.124 . . . . 0.0 111.242 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.2 -2.273 . . . . 0.0 106.355 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.47 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.509 2.139 . . . . 0.0 111.957 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.851 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.58 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.18 2.8 . . . . 0.0 110.377 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.48 79.16 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.362 -0.836 . . . . 0.0 110.71 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.48 86.98 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 124.343 1.057 . . . . 0.0 111.501 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.028 1.455 . . . . 0.0 109.29 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.97 83.92 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.05 87.32 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 117.992 0.36 . . . . 0.0 111.21 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.2 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 120.428 -1.42 . . . . 0.0 110.829 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.52 77.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.62 79.26 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.495 2.569 . . . . 0.0 108.985 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.704 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.46 17.95 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.114 2.688 . . . . 0.0 113.958 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.26 5.3 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.82 83.43 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 118.761 -1.176 . . . . 0.0 111.029 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.117 2.544 . . . . 0.0 110.943 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.72 0 C-N-CA 120.7 0.933 . . . . 0.0 113.403 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.78 0 O-C-N 119.95 -1.719 . . . . 0.0 112.229 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.79 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.535 -1.353 . . . . 0.0 112.026 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 124.303 2.001 . . . . 0.0 115.671 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.9 23.86 Favored 'General case' 0 C--O 1.296 3.509 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.93 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.479 1.036 . . . . 0.0 109.979 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.146 1.529 . . . . 0.0 111.893 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.7 18.95 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.95 19.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.214 -2.266 . . . . 0.0 110.825 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.373 2.892 . . . . 0.0 117.469 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.804 -2.665 . . . . 0.0 103.804 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 117.757 -1.115 . . . . 0.0 109.982 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 125.081 1.488 . . . . 0.0 109.923 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.83 85.28 Favored Glycine 0 CA--C 1.492 -1.355 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 120.009 -1.877 . . . . 0.0 108.025 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.54 11.68 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.09 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.97 -29.55 70.7 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.299 -1.76 . . . . 0.0 112.193 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.31 70.59 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.451 1.119 . . . . 0.0 110.679 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.38 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.981 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.31 18.47 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.56 1.982 . . . . 0.0 111.211 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.169 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.102 2.126 . . . . 0.0 109.543 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 19.3 ptpt -54.78 143.02 26.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.267 1.508 . . . . 0.0 109.23 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 117.935 2.568 . . . . 0.0 117.935 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.681 -2.581 . . . . 0.0 105.757 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.5 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.945 . . . . 0.0 105.882 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.97 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.532 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 178.497 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.79 36.04 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.269 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.51 -179.361 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 127.013 2.695 . . . . 0.0 108.939 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.0 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.465 4.853 . . . . 0.0 108.821 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.371 -3.204 . . . . 0.0 105.495 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.44 41.17 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.424 4.203 . . . . 0.0 108.058 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.69 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.071 0.857 . . . . 0.0 112.567 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.808 -2.357 . . . . 0.0 111.98 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.56 80.28 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.137 -1.602 . . . . 0.0 116.094 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.45 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.628 2.455 . . . . 0.0 105.967 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 127.544 3.028 . . . . 0.0 109.102 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.68 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.215 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.06 44.17 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 115.386 -2.245 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.119 4.012 . . . . 0.0 103.562 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 O-C-N 127.689 3.118 . . . . 0.0 111.21 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.48 37.56 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.179 -2.282 . . . . 0.0 106.325 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.4 38.76 Favored 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 122.551 2.167 . . . . 0.0 111.944 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.98 -8.12 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.914 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.311 -1.756 . . . . 0.0 109.864 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.45 21.17 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.221 2.826 . . . . 0.0 110.39 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.2 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.37 -0.831 . . . . 0.0 110.699 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.17 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.297 1.039 . . . . 0.0 111.549 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.37 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 125.057 1.473 . . . . 0.0 109.263 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.94 83.81 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.778 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.278 2.559 0 CA-C-N 117.97 0.35 . . . . 0.0 111.227 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.24 86.81 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 120.401 -1.437 . . . . 0.0 110.815 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.52 77.49 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.62 79.26 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 125.514 2.578 . . . . 0.0 109.014 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.754 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.091 2.678 . . . . 0.0 113.983 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.911 2.325 . . . . 0.0 118.911 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.92 83.27 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.045 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.77 Favored 'Trans proline' 0 C--O 1.258 1.512 0 C-N-CA 123.177 2.585 . . . . 0.0 110.94 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.664 0 O-C-N 122.851 0.922 . . . . 0.0 113.434 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.774 0 O-C-N 119.966 -1.709 . . . . 0.0 112.229 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.42 29.03 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.524 -1.36 . . . . 0.0 112.011 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.69 34.77 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 124.304 2.002 . . . . 0.0 115.647 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.87 23.83 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.24 50.9 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.483 1.038 . . . . 0.0 109.948 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.81 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 125.133 1.52 . . . . 0.0 111.863 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.95 19.52 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.819 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.08 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.313 2.864 . . . . 0.0 117.508 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.33 37.43 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 117.762 -1.114 . . . . 0.0 110.001 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.75 139.99 36.65 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.067 1.479 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.88 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.423 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.58 16.99 Favored 'General case' 0 C--O 1.25 1.102 0 O-C-N 119.998 -1.884 . . . . 0.0 108.005 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.2 79.26 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.349 -1.74 . . . . 0.0 112.135 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.31 70.56 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.41 1.1 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.67 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.644 -1.17 . . . . 0.0 112.956 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.561 1.982 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.42 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.161 -2.352 . . . . 0.0 106.186 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.068 2.105 . . . . 0.0 109.568 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.74 143.06 26.5 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 123.224 1.488 . . . . 0.0 109.281 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.21 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.51 34.53 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.739 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.409 2.943 . . . . 0.0 105.869 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.482 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 178.449 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.64 36.24 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 -179.623 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 127.032 2.708 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 115.953 -1.975 . . . . 0.0 105.702 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.99 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.469 4.856 . . . . 0.0 108.812 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.477 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.52 41.24 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.94 49.55 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 124.039 0.837 . . . . 0.0 112.575 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.811 -2.356 . . . . 0.0 111.998 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.32 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.097 -1.627 . . . . 0.0 116.088 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.38 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 126.544 2.402 . . . . 0.0 106.03 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 127.631 3.082 . . . . 0.0 109.068 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.66 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.238 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.431 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.265 4.103 . . . . 0.0 103.563 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 O-C-N 127.737 3.148 . . . . 0.0 111.178 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.69 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.143 -2.298 . . . . 0.0 106.317 174.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 122.5 2.133 . . . . 0.0 111.96 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.91 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.46 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.843 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.17 2.794 . . . . 0.0 110.372 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.43 78.98 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.378 -0.826 . . . . 0.0 110.763 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.47 87.06 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.336 1.055 . . . . 0.0 111.507 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 125.023 1.452 . . . . 0.0 109.342 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.97 83.7 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.762 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.968 0.349 . . . . 0.0 111.152 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.31 87.04 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.358 -1.464 . . . . 0.0 110.829 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.53 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.531 2.586 . . . . 0.0 109.014 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.65 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.749 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.618 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.64 -6.34 8.06 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.132 2.696 . . . . 0.0 114.006 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.894 2.318 . . . . 0.0 118.894 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.81 124.87 83.17 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.109 2.539 . . . . 0.0 110.952 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.18 92.74 Favored 'Trans proline' 0 C--O 1.262 1.681 0 O-C-N 122.878 0.936 . . . . 0.0 113.438 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.6 63.64 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.77 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.511 -1.368 . . . . 0.0 112.054 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.72 34.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.304 2.002 . . . . 0.0 115.614 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.89 Favored 'General case' 0 C--O 1.296 3.543 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 51.0 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 119.448 1.022 . . . . 0.0 110.002 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.153 1.533 . . . . 0.0 111.88 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.795 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.08 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.363 2.887 . . . . 0.0 117.495 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.61 46.4 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.592 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.61 138.4 37.42 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.985 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 125.01 1.444 . . . . 0.0 109.98 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.69 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.03 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 119.954 -1.909 . . . . 0.0 107.959 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.17 79.25 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.183 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.51 -39.34 70.37 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.5 1.143 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.62 51.56 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.718 -1.134 . . . . 0.0 113.026 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.41 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 121.551 1.978 . . . . 0.0 111.209 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.072 -2.395 . . . . 0.0 106.186 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.131 2.145 . . . . 0.0 109.521 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -54.78 143.0 26.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.226 1.489 . . . . 0.0 109.281 -176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.46 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.69 52.11 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.69 19.04 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.678 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.71 135.77 46.53 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.42 2.95 . . . . 0.0 105.852 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.78 30.78 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.619 -1.181 . . . . 0.0 111.465 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.163 0.506 . . . . 0.0 109.801 178.458 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.17 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.24 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.486 -178.728 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.2 31.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.96 2.662 . . . . 0.0 108.932 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.02 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.512 2.646 1 O-C-N 130.449 4.843 . . . . 0.0 108.794 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.421 -3.181 . . . . 0.0 105.485 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.415 4.197 . . . . 0.0 108.051 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.74 8.4 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.054 0.846 . . . . 0.0 112.614 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.07 30.0 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.014 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.44 80.41 Favored Glycine 0 C--N 1.298 -1.538 0 O-C-N 120.107 -1.62 . . . . 0.0 116.132 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.04 34.48 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.77 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.593 2.433 . . . . 0.0 106.024 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.96 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 127.624 3.078 . . . . 0.0 109.049 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.229 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 115.379 -2.248 . . . . 0.0 108.473 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.192 4.058 . . . . 0.0 103.545 174.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.67 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.678 3.111 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.49 37.77 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.281 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.44 39.31 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.538 2.159 . . . . 0.0 111.97 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.894 -177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.52 47.45 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.847 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.26 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 127.192 2.807 . . . . 0.0 110.401 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.44 78.95 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.366 -0.833 . . . . 0.0 110.696 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.53 86.78 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.353 1.061 . . . . 0.0 111.468 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.44 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 125.09 1.494 . . . . 0.0 109.288 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.99 83.79 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.766 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.99 87.11 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 118.047 0.385 . . . . 0.0 111.216 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.21 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 120.345 -1.472 . . . . 0.0 110.77 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.47 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.36 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.5 2.572 . . . . 0.0 108.983 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.72 66.48 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.712 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.644 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.38 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.109 2.686 . . . . 0.0 113.965 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.317 0 N-CA-C 118.887 2.315 . . . . 0.0 118.887 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.77 124.82 83.26 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.823 -1.151 . . . . 0.0 111.008 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.124 2.549 . . . . 0.0 110.888 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.76 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 122.908 0.951 . . . . 0.0 113.414 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.55 63.62 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.997 -1.689 . . . . 0.0 112.18 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.507 -1.371 . . . . 0.0 112.032 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.29 1.995 . . . . 0.0 115.647 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.23 50.93 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.453 1.024 . . . . 0.0 109.988 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.86 72.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.141 1.526 . . . . 0.0 111.924 -177.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.65 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 112.233 -2.258 . . . . 0.0 110.762 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.61 61.09 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.361 2.886 . . . . 0.0 117.5 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.051 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.02 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.031 1.457 . . . . 0.0 110.0 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.21 29.49 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.84 85.23 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.087 1.195 . . . . 0.0 116.087 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.966 -1.902 . . . . 0.0 107.969 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.22 79.29 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.269 -1.772 . . . . 0.0 112.174 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.34 70.51 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 122.461 1.124 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.979 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.557 1.981 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.46 30.38 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.108 -2.377 . . . . 0.0 106.17 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.47 169.54 8.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.138 2.149 . . . . 0.0 109.538 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.8 143.06 26.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.212 1.482 . . . . 0.0 109.227 -176.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.16 10.63 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.49 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.68 135.77 46.5 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.381 2.925 . . . . 0.0 105.906 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 117.621 -1.18 . . . . 0.0 111.532 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.163 0.506 . . . . 0.0 109.813 178.479 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.05 39.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.272 0 CA-C-O 113.377 -3.201 . . . . 0.0 105.477 179.553 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.965 2.666 . . . . 0.0 108.898 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 173.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.435 4.834 . . . . 0.0 108.787 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.471 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.45 41.22 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.41 4.194 . . . . 0.0 108.035 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.76 8.39 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.96 49.67 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.085 0.866 . . . . 0.0 112.575 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.02 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.84 -2.344 . . . . 0.0 111.987 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.298 -1.57 0 O-C-N 120.113 -1.617 . . . . 0.0 116.129 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.04 34.46 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 174.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.32 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 126.619 2.45 . . . . 0.0 106.014 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.0 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.572 3.045 . . . . 0.0 109.034 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.2 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.04 44.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.424 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.27 44.58 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.169 4.043 . . . . 0.0 103.545 173.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 O-C-N 127.669 3.106 . . . . 0.0 111.194 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.138 -2.301 . . . . 0.0 106.356 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 122.575 2.183 . . . . 0.0 112.003 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.857 -177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.52 47.49 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.889 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.3 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 127.166 2.791 . . . . 0.0 110.394 175.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.45 79.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.369 -0.832 . . . . 0.0 110.742 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.46 86.88 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.341 1.056 . . . . 0.0 111.542 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.38 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 125.05 1.469 . . . . 0.0 109.341 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.96 83.84 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.773 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.01 87.02 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.98 0.355 . . . . 0.0 111.245 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.356 -1.465 . . . . 0.0 110.787 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.52 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.46 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.554 2.597 . . . . 0.0 109.012 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.694 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.33 8.1 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.1 2.682 . . . . 0.0 113.958 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.911 2.324 . . . . 0.0 118.911 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.4 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.988 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.119 2.546 . . . . 0.0 110.955 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.16 92.75 Favored 'Trans proline' 0 C--O 1.262 1.716 0 O-C-N 122.856 0.924 . . . . 0.0 113.375 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.969 -1.707 . . . . 0.0 112.202 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.481 -1.387 . . . . 0.0 112.009 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.278 1.989 . . . . 0.0 115.654 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.26 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.436 1.016 . . . . 0.0 110.022 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.77 72.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.164 1.54 . . . . 0.0 111.89 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.0 19.58 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.297 -2.229 . . . . 0.0 110.743 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.62 61.12 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.398 2.904 . . . . 0.0 117.49 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.12 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.35 37.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.023 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.73 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 125.073 1.483 . . . . 0.0 109.924 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.24 29.17 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.747 3.61 . . . . 0.0 120.747 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.88 85.24 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.015 -1.873 . . . . 0.0 108.021 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.63 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.13 -36.24 79.23 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.179 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.27 70.64 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.454 1.121 . . . . 0.0 110.723 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.002 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.51 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 121.52 1.964 . . . . 0.0 111.176 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.173 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.5 8.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.102 2.126 . . . . 0.0 109.529 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 143.06 26.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.186 1.47 . . . . 0.0 109.262 -176.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.88 19.19 10.67 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.71 52.25 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.728 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.39 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.443 2.964 . . . . 0.0 105.924 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.79 Favored 'General case' 0 C--O 1.283 2.832 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.478 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.87 28.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.192 0.52 . . . . 0.0 109.828 178.488 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.91 35.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.226 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.528 179.222 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 127.0 2.687 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.416 4.823 . . . . 0.0 108.76 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.51 41.25 Favored 'General case' 0 N--CA 1.505 2.286 1 O-C-N 129.381 4.176 . . . . 0.0 108.05 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.84 49.04 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.044 0.84 . . . . 0.0 112.56 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.796 -2.362 . . . . 0.0 112.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.53 80.33 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 120.117 -1.614 . . . . 0.0 116.143 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.07 34.49 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.33 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 126.546 2.404 . . . . 0.0 106.016 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 127.586 3.054 . . . . 0.0 109.078 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.7 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 117.252 -1.779 . . . . 0.0 108.232 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.98 44.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 115.377 -2.249 . . . . 0.0 108.434 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.15 44.31 Favored 'General case' 0 N--CA 1.498 1.966 1 O-C-N 129.17 4.044 . . . . 0.0 103.61 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.01 170.64 15.88 Favored 'Isoleucine or valine' 0 C--O 1.251 1.148 0 O-C-N 127.7 3.125 . . . . 0.0 111.201 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.49 37.72 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.097 -2.319 . . . . 0.0 106.326 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.49 39.42 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.507 2.138 . . . . 0.0 111.918 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.13 59.12 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.874 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.44 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.875 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.42 21.2 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.214 2.821 . . . . 0.0 110.37 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.362 -0.836 . . . . 0.0 110.72 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.55 -44.37 86.99 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.264 1.026 . . . . 0.0 111.574 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.39 -46.45 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.069 1.481 . . . . 0.0 109.308 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.8 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.98 87.04 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-N 118.019 0.372 . . . . 0.0 111.251 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.26 86.88 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.387 -1.446 . . . . 0.0 110.83 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.53 79.57 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.565 2.602 . . . . 0.0 109.044 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.71 66.71 Favored 'General case' 0 C--O 1.254 1.33 0 CA-C-N 113.659 -1.61 . . . . 0.0 111.747 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.978 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.39 90.1 Favored Glycine 0 CA--C 1.477 -2.297 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.84 83.38 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.068 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.164 2.576 . . . . 0.0 110.953 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.77 Favored 'Trans proline' 0 C--O 1.262 1.714 0 C-N-CA 120.702 0.935 . . . . 0.0 113.396 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 119.938 -1.726 . . . . 0.0 112.218 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.48 28.74 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.485 -1.384 . . . . 0.0 112.048 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.71 129.65 34.8 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.305 2.002 . . . . 0.0 115.638 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 116.01 24.07 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.67 130.3 51.12 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.487 1.04 . . . . 0.0 109.981 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.86 72.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 125.16 1.537 . . . . 0.0 111.861 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.64 18.86 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.02 19.6 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.791 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 21.6 60.91 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.385 2.898 . . . . 0.0 117.515 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 103.795 -2.669 . . . . 0.0 103.795 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.38 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.034 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.112 1.508 . . . . 0.0 110.008 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.73 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.697 3.592 . . . . 0.0 120.697 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.422 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.04 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 119.955 -1.909 . . . . 0.0 108.009 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.54 11.67 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.2 79.16 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.133 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.25 70.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.485 1.136 . . . . 0.0 110.72 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.76 51.3 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.941 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.82 45.39 18.67 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.572 1.987 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.124 -2.369 . . . . 0.0 106.164 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.56 8.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.119 2.137 . . . . 0.0 109.539 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 12.0 mtpt -54.73 143.03 26.51 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.222 1.487 . . . . 0.0 109.262 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.67 52.07 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 118.294 -0.86 . . . . 0.0 108.68 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.752 -2.547 . . . . 0.0 105.724 174.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.47 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.891 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.546 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.171 0.51 . . . . 0.0 109.852 178.446 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.263 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.515 -179.029 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 126.956 2.66 . . . . 0.0 108.949 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.517 4.886 . . . . 0.0 108.794 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.499 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.44 41.22 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.384 4.177 . . . . 0.0 108.012 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.368 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.95 49.64 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.014 0.821 . . . . 0.0 112.604 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 115.8 -2.36 . . . . 0.0 111.993 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.116 -1.615 . . . . 0.0 116.085 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.72 55.3 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 126.65 2.469 . . . . 0.0 106.013 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.584 3.053 . . . . 0.0 109.037 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.233 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.407 -2.235 . . . . 0.0 108.452 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.26 44.57 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.153 4.033 . . . . 0.0 103.608 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.65 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 O-C-N 127.694 3.121 . . . . 0.0 111.229 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 112.148 -2.297 . . . . 0.0 106.28 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.47 39.34 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.567 2.178 . . . . 0.0 111.915 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.17 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.903 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.877 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.49 21.21 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.25 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.178 2.799 . . . . 0.0 110.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.337 -0.852 . . . . 0.0 110.704 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.43 87.02 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.36 1.064 . . . . 0.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.45 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.089 1.493 . . . . 0.0 109.34 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.789 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.07 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.407 -1.433 . . . . 0.0 110.834 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.38 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 125.477 2.561 . . . . 0.0 109.0 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.72 66.57 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.718 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.44 17.92 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.3 8.1 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 123.076 2.671 . . . . 0.0 113.96 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.32 90.17 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.89 2.316 . . . . 0.0 118.89 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.66 124.83 83.45 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.206 2.604 . . . . 0.0 110.889 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.67 Favored 'Trans proline' 0 C--O 1.262 1.683 0 O-C-N 122.888 0.941 . . . . 0.0 113.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.56 63.62 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 119.969 -1.707 . . . . 0.0 112.242 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.92 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.531 -1.356 . . . . 0.0 112.045 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.64 34.8 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.336 2.017 . . . . 0.0 115.647 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.94 23.96 Favored 'General case' 0 C--O 1.297 3.571 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.499 1.045 . . . . 0.0 109.986 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.05 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 125.183 1.552 . . . . 0.0 111.9 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.87 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.07 19.4 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.249 -2.25 . . . . 0.0 110.804 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.364 2.888 . . . . 0.0 117.511 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.6 46.42 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 103.789 -2.671 . . . . 0.0 103.789 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.31 37.44 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.045 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 140.0 36.67 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.025 1.453 . . . . 0.0 109.971 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.14 29.43 Favored 'General case' 0 C--O 1.265 1.88 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.22 Favored Glycine 0 CA--C 1.492 -1.346 0 N-CA-C 116.076 1.19 . . . . 0.0 116.076 -177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.53 17.03 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 120.07 -1.841 . . . . 0.0 108.031 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.15 79.26 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.74 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 117.329 -1.749 . . . . 0.0 112.15 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.28 70.48 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.464 1.126 . . . . 0.0 110.701 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.69 51.5 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.946 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.4 18.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.578 1.99 . . . . 0.0 111.205 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.103 2.127 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -54.71 142.98 26.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.215 1.483 . . . . 0.0 109.25 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.12 10.59 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.52 34.51 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.67 52.14 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.66 19.08 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 114.689 -2.577 . . . . 0.0 105.739 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 127.399 2.937 . . . . 0.0 105.916 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.841 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.51 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.98 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.202 0.525 . . . . 0.0 109.808 178.497 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.24 36.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.271 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.525 -177.641 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 126.956 2.66 . . . . 0.0 108.959 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 173.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.464 4.853 . . . . 0.0 108.764 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.5 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.44 41.2 Favored 'General case' 0 N--CA 1.504 2.257 1 O-C-N 129.417 4.198 . . . . 0.0 108.096 -178.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.9 49.35 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 124.067 0.854 . . . . 0.0 112.629 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.798 -2.361 . . . . 0.0 111.958 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.51 80.31 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.161 -1.587 . . . . 0.0 116.111 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.631 2.457 . . . . 0.0 105.987 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.611 3.069 . . . . 0.0 109.036 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.78 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.195 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.02 44.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.433 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.24 44.49 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.209 4.068 . . . . 0.0 103.561 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.65 15.72 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.671 3.107 . . . . 0.0 111.23 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.18 -2.282 . . . . 0.0 106.339 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.536 2.157 . . . . 0.0 111.96 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.895 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.45 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.88 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.189 2.806 . . . . 0.0 110.387 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.47 79.13 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.386 -0.821 . . . . 0.0 110.707 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.13 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 124.331 1.052 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.46 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.88 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 117.97 0.35 . . . . 0.0 111.239 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.28 86.91 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 120.424 -1.422 . . . . 0.0 110.755 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.49 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.57 79.37 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 125.488 2.566 . . . . 0.0 108.991 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.754 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.45 17.93 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.34 8.09 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.118 2.69 . . . . 0.0 113.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.3 90.16 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.9 83.34 Favored Pre-proline 0 C--O 1.243 0.756 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.026 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.91 79.55 Favored 'Trans proline' 0 C--O 1.26 1.584 0 C-N-CA 123.142 2.561 . . . . 0.0 110.952 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.73 Favored 'Trans proline' 0 C--O 1.262 1.694 0 O-C-N 122.863 0.928 . . . . 0.0 113.436 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.002 -1.687 . . . . 0.0 112.226 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.465 -1.397 . . . . 0.0 112.017 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.32 2.009 . . . . 0.0 115.656 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.97 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.446 1.021 . . . . 0.0 109.952 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.16 131.84 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.149 1.531 . . . . 0.0 111.929 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.71 18.97 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 45.98 19.29 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.62 61.09 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.313 2.863 . . . . 0.0 117.551 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.64 46.38 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.4 37.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.042 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.0 36.73 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.051 1.47 . . . . 0.0 109.98 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.21 30.09 Favored 'General case' 0 C--O 1.266 1.94 0 N-CA-C 120.675 3.583 . . . . 0.0 120.675 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.88 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.58 17.02 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.009 -1.877 . . . . 0.0 107.965 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.24 79.35 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.57 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.203 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.31 70.68 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 122.487 1.137 . . . . 0.0 110.74 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.995 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 121.555 1.98 . . . . 0.0 111.19 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.12 -2.372 . . . . 0.0 106.155 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 126.142 2.151 . . . . 0.0 109.56 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.08 26.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.194 1.473 . . . . 0.0 109.275 -176.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.15 10.67 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.948 2.573 . . . . 0.0 117.948 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.695 175.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.401 2.938 . . . . 0.0 105.88 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.79 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.475 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.216 0.531 . . . . 0.0 109.814 178.434 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.94 38.5 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.302 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.512 179.435 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.686 . . . . 0.0 108.928 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.25 49.41 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.508 4.88 . . . . 0.0 108.759 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.519 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.505 2.317 1 O-C-N 129.429 4.206 . . . . 0.0 108.049 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.37 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.092 0.87 . . . . 0.0 112.612 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.44 15.08 29.98 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.872 -2.331 . . . . 0.0 112.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.5 80.4 Favored Glycine 0 C--N 1.298 -1.566 0 O-C-N 120.094 -1.629 . . . . 0.0 116.052 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.07 34.41 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.587 2.43 . . . . 0.0 106.043 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.615 3.072 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.197 -1.801 . . . . 0.0 108.231 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.96 44.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.431 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.27 44.59 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.204 4.065 . . . . 0.0 103.553 173.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 127.653 3.096 . . . . 0.0 111.214 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.52 37.7 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.13 -2.304 . . . . 0.0 106.363 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.42 39.52 Favored 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 122.512 2.141 . . . . 0.0 111.934 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.913 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.46 47.58 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.341 -1.743 . . . . 0.0 109.922 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.44 21.28 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.181 2.8 . . . . 0.0 110.361 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.49 79.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.376 -0.828 . . . . 0.0 110.747 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.4 87.17 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.367 1.067 . . . . 0.0 111.511 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.45 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.09 1.493 . . . . 0.0 109.292 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.12 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.015 0.371 . . . . 0.0 111.207 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.376 -1.452 . . . . 0.0 110.779 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.56 77.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.41 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.519 2.58 . . . . 0.0 108.97 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.73 66.41 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.737 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.825 -1.15 . . . . 0.0 111.03 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.87 79.26 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.182 2.588 . . . . 0.0 110.942 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.13 -32.22 92.73 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.871 0.932 . . . . 0.0 113.422 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.49 63.6 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 119.902 -1.748 . . . . 0.0 112.206 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.46 28.72 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.489 -1.382 . . . . 0.0 112.08 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 124.346 2.022 . . . . 0.0 115.613 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.9 23.85 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 172.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.28 50.94 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.504 1.047 . . . . 0.0 110.002 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.77 72.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.136 1.522 . . . . 0.0 111.925 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.04 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.97 19.49 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.768 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.62 61.02 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.343 2.878 . . . . 0.0 117.51 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.2 34.62 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.35 37.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.02 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 139.93 36.77 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.115 1.51 . . . . 0.0 109.913 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.2 29.2 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 -175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.89 85.21 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.57 17.06 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 119.993 -1.887 . . . . 0.0 108.008 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.17 79.19 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.61 70.78 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.14 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.31 70.64 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.437 1.113 . . . . 0.0 110.706 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.66 51.53 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.0 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.95 45.29 18.41 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.524 1.965 . . . . 0.0 111.204 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.21 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.149 -2.358 . . . . 0.0 106.158 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.48 8.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 126.067 2.105 . . . . 0.0 109.515 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 143.03 26.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.185 1.469 . . . . 0.0 109.242 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.17 10.62 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.1 126.73 52.32 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.14 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.725 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.391 2.932 . . . . 0.0 105.885 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.503 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.88 28.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.143 0.496 . . . . 0.0 109.853 178.472 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.35 39.2 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.312 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.519 -179.232 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.015 2.697 . . . . 0.0 108.959 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.511 2.616 1 O-C-N 130.409 4.818 . . . . 0.0 108.788 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.539 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.51 41.23 Favored 'General case' 0 N--CA 1.505 2.304 1 O-C-N 129.394 4.183 . . . . 0.0 108.019 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.17 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.063 0.852 . . . . 0.0 112.581 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.02 30.18 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.83 -2.348 . . . . 0.0 111.955 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.51 80.34 Favored Glycine 0 C--N 1.297 -1.593 0 O-C-N 120.089 -1.632 . . . . 0.0 116.144 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.1 34.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.77 55.32 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.553 2.408 . . . . 0.0 106.031 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 127.559 3.037 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.71 36.75 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.169 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.03 44.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.355 -2.259 . . . . 0.0 108.438 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.27 44.6 Favored 'General case' 0 N--CA 1.498 1.973 1 O-C-N 129.205 4.066 . . . . 0.0 103.601 173.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.6 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.689 3.118 . . . . 0.0 111.204 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.92 144.49 37.55 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.327 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.44 39.25 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 122.532 2.155 . . . . 0.0 111.937 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.09 59.13 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.867 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.49 47.42 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.35 -1.74 . . . . 0.0 109.865 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.37 21.29 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.25 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.206 2.816 . . . . 0.0 110.385 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.362 -0.836 . . . . 0.0 110.729 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.44 86.96 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 111.484 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.45 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 125.072 1.482 . . . . 0.0 109.258 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.98 86.94 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.999 0.363 . . . . 0.0 111.189 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 120.406 -1.433 . . . . 0.0 110.781 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.4 77.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.62 79.15 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.467 2.556 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.51 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.118 2.69 . . . . 0.0 113.926 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.932 2.333 . . . . 0.0 118.932 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.992 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.9 79.46 Favored 'Trans proline' 0 C--O 1.26 1.605 0 C-N-CA 123.155 2.57 . . . . 0.0 110.901 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.14 92.67 Favored 'Trans proline' 0 C--O 1.262 1.695 0 O-C-N 122.861 0.927 . . . . 0.0 113.429 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.58 63.64 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.965 -1.709 . . . . 0.0 112.212 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.529 -1.357 . . . . 0.0 112.061 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.87 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.327 2.013 . . . . 0.0 115.654 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.97 23.96 Favored 'General case' 0 C--O 1.296 3.537 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.07 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.494 1.043 . . . . 0.0 109.955 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.75 72.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 125.21 1.568 . . . . 0.0 111.925 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.05 46.04 19.33 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.775 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.95 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 128.34 2.876 . . . . 0.0 117.5 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.03 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.044 1.465 . . . . 0.0 109.955 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.28 29.46 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.92 85.24 Favored Glycine 0 CA--C 1.492 -1.386 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.14 0 O-C-N 119.956 -1.908 . . . . 0.0 108.012 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.56 11.67 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.16 79.1 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.168 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.36 70.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.476 1.131 . . . . 0.0 110.698 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.65 51.51 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.651 -1.166 . . . . 0.0 112.972 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.4 18.44 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.588 1.994 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 CA-C-O 115.173 -2.346 . . . . 0.0 106.171 175.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.099 2.124 . . . . 0.0 109.502 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -54.78 143.02 26.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.2 1.476 . . . . 0.0 109.271 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.17 10.61 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.51 34.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.687 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.68 19.05 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.738 -2.554 . . . . 0.0 105.727 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.424 2.953 . . . . 0.0 105.905 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.77 30.76 Favored 'General case' 0 C--O 1.281 2.757 0 CA-C-O 117.625 -1.179 . . . . 0.0 111.472 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.07 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.212 0.53 . . . . 0.0 109.83 178.432 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.402 -3.19 . . . . 0.0 105.512 179.789 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 126.961 2.663 . . . . 0.0 108.944 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.632 1 O-C-N 130.436 4.835 . . . . 0.0 108.786 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.2 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.35 4.156 . . . . 0.0 108.081 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.72 8.41 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.01 49.91 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.992 0.808 . . . . 0.0 112.577 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.98 30.26 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.789 -2.364 . . . . 0.0 111.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.33 Favored Glycine 0 C--N 1.297 -1.589 0 O-C-N 120.102 -1.624 . . . . 0.0 116.133 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.0 34.54 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.79 55.38 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.543 2.402 . . . . 0.0 105.991 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.53 142.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.608 3.068 . . . . 0.0 109.064 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.81 36.61 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.224 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.289 -2.291 . . . . 0.0 108.472 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.244 4.09 . . . . 0.0 103.565 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 O-C-N 127.708 3.13 . . . . 0.0 111.201 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.04 144.47 37.71 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.145 -2.298 . . . . 0.0 106.314 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.36 39.23 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.571 2.181 . . . . 0.0 111.978 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.14 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.88 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.49 47.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.878 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.37 21.23 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.17 -37.33 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.223 2.827 . . . . 0.0 110.372 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.44 79.1 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.295 -0.878 . . . . 0.0 110.727 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.51 87.03 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 124.323 1.049 . . . . 0.0 111.525 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 125.117 1.511 . . . . 0.0 109.331 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.98 83.86 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.22 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.987 0.358 . . . . 0.0 111.199 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 120.41 -1.431 . . . . 0.0 110.797 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.56 79.41 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.494 2.569 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.688 -1.597 . . . . 0.0 111.787 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.38 17.96 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.08 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 123.079 2.672 . . . . 0.0 113.972 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.284 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.37 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.02 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.29 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.177 2.584 . . . . 0.0 110.919 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.12 92.55 Favored 'Trans proline' 0 C--O 1.262 1.713 0 C-N-CA 120.694 0.929 . . . . 0.0 113.381 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.52 63.61 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.965 -1.71 . . . . 0.0 112.175 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.477 -1.39 . . . . 0.0 112.04 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.271 1.986 . . . . 0.0 115.616 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.89 23.88 Favored 'General case' 0 C--O 1.295 3.483 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.28 50.91 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.434 1.015 . . . . 0.0 109.935 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.163 1.54 . . . . 0.0 111.898 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.68 18.92 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 112.225 -2.262 . . . . 0.0 110.78 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.01 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 128.368 2.89 . . . . 0.0 117.488 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.67 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.028 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.75 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.051 1.469 . . . . 0.0 109.974 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.89 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.68 3.585 . . . . 0.0 120.68 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.24 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.014 -1.874 . . . . 0.0 107.951 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.27 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.136 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.27 70.66 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.481 1.134 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.75 51.31 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.987 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.552 1.978 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.151 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.061 2.1 . . . . 0.0 109.531 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -54.79 143.05 26.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.227 1.489 . . . . 0.0 109.256 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.2 10.65 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.732 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.204 0 O-C-N 127.466 2.979 . . . . 0.0 105.87 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.835 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.508 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.96 28.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.225 0.535 . . . . 0.0 109.849 178.419 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.18 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.286 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.53 -179.51 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 126.989 2.681 . . . . 0.0 108.93 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.05 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.436 4.835 . . . . 0.0 108.793 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.24 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.479 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.5 41.24 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.453 4.221 . . . . 0.0 108.036 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.57 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.069 0.856 . . . . 0.0 112.591 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.819 -2.352 . . . . 0.0 112.051 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.52 80.36 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.148 -1.595 . . . . 0.0 116.196 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 126.649 2.468 . . . . 0.0 106.048 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.96 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 127.534 3.021 . . . . 0.0 109.058 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.221 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 115.348 -2.263 . . . . 0.0 108.414 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.42 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.255 4.097 . . . . 0.0 103.561 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.229 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.73 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.155 -2.293 . . . . 0.0 106.357 174.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.538 2.159 . . . . 0.0 111.975 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.888 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.878 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.4 21.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.31 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.132 2.77 . . . . 0.0 110.331 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.36 -0.838 . . . . 0.0 110.736 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.46 86.84 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 124.346 1.059 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.48 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.093 1.496 . . . . 0.0 109.318 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.96 83.67 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.762 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.1 87.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 118.027 0.376 . . . . 0.0 111.264 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.383 -1.448 . . . . 0.0 110.816 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.42 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.28 -48.57 79.32 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.473 2.559 . . . . 0.0 108.985 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.72 66.52 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.767 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.95 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.127 2.694 . . . . 0.0 113.952 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.79 83.48 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.83 -1.148 . . . . 0.0 110.999 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.5 Favored 'Trans proline' 0 C--O 1.259 1.564 0 C-N-CA 123.109 2.539 . . . . 0.0 110.933 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.1 92.59 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 120.703 0.936 . . . . 0.0 113.384 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 120.004 -1.685 . . . . 0.0 112.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.9 -10.43 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.52 -1.363 . . . . 0.0 112.005 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.344 2.021 . . . . 0.0 115.657 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.53 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.437 1.017 . . . . 0.0 109.974 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.142 1.526 . . . . 0.0 111.9 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.64 18.9 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.52 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.817 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.52 61.0 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.354 2.883 . . . . 0.0 117.511 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 174.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.788 -1.101 . . . . 0.0 109.988 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.73 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.062 1.476 . . . . 0.0 109.949 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.17 29.32 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.89 85.19 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.53 17.07 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 119.989 -1.889 . . . . 0.0 107.975 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.63 11.61 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.27 79.42 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.311 -1.756 . . . . 0.0 112.205 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.34 70.53 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.494 1.14 . . . . 0.0 110.712 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.67 51.43 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.964 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.43 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.559 1.981 . . . . 0.0 111.162 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.37 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.164 -2.35 . . . . 0.0 106.208 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 0.0 109.517 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -54.73 143.02 26.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.21 1.481 . . . . 0.0 109.236 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.14 10.61 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 118.272 -0.871 . . . . 0.0 108.679 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.709 -2.567 . . . . 0.0 105.715 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 127.397 2.936 . . . . 0.0 105.865 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.501 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.491 . . . . 0.0 109.877 178.439 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.72 34.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.265 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.492 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.991 2.682 . . . . 0.0 108.901 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.14 49.53 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.478 4.861 . . . . 0.0 108.749 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 113.419 -3.182 . . . . 0.0 105.514 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.06 127.52 41.18 Favored 'General case' 0 N--CA 1.505 2.277 1 O-C-N 129.379 4.175 . . . . 0.0 108.007 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.71 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.028 0.83 . . . . 0.0 112.592 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.832 -2.347 . . . . 0.0 111.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.182 -1.574 . . . . 0.0 116.116 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.82 55.32 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.613 2.445 . . . . 0.0 106.0 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.96 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.596 3.06 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.76 36.71 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.211 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.01 44.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.406 -2.235 . . . . 0.0 108.463 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.5 2.033 1 O-C-N 129.167 4.042 . . . . 0.0 103.572 174.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.62 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.195 0 O-C-N 127.698 3.124 . . . . 0.0 111.22 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 112.183 -2.28 . . . . 0.0 106.316 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.5 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 122.566 2.178 . . . . 0.0 112.013 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.82 -8.17 59.12 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.87 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.898 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.185 2.803 . . . . 0.0 110.365 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.47 79.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.354 -0.841 . . . . 0.0 110.735 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.03 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.342 1.057 . . . . 0.0 111.474 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.059 1.474 . . . . 0.0 109.329 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.97 83.65 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.29 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 118.006 0.366 . . . . 0.0 111.201 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.363 -1.461 . . . . 0.0 110.796 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.16 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.512 2.577 . . . . 0.0 109.031 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.71 66.45 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.77 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.09 2.677 . . . . 0.0 113.959 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.46 90.1 Favored Glycine 0 CA--C 1.478 -2.261 0 N-CA-C 118.849 2.299 . . . . 0.0 118.849 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.042 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.89 79.31 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.097 2.531 . . . . 0.0 110.914 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.71 Favored 'Trans proline' 0 C--O 1.261 1.665 0 C-N-CA 120.684 0.923 . . . . 0.0 113.486 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.976 -1.702 . . . . 0.0 112.237 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.78 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.474 -1.392 . . . . 0.0 112.052 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.7 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.624 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.96 24.02 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.25 51.02 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.48 1.036 . . . . 0.0 109.99 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.89 72.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.115 1.51 . . . . 0.0 111.893 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.31 129.66 18.85 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.01 19.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.783 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.53 61.07 Favored Glycine 0 N--CA 1.432 -1.568 0 C-N-CA 128.335 2.874 . . . . 0.0 117.519 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 103.773 -2.677 . . . . 0.0 103.773 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.35 37.43 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.007 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 139.99 36.7 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 125.025 1.453 . . . . 0.0 109.955 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.21 29.7 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.89 85.24 Favored Glycine 0 CA--C 1.492 -1.404 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.6 16.98 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.99 -1.888 . . . . 0.0 108.003 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.23 79.41 Favored 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.268 2.063 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.158 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.29 70.49 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.415 1.102 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.71 51.37 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.35 18.55 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 121.574 1.988 . . . . 0.0 111.216 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.47 30.41 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 CA-C-O 115.136 -2.364 . . . . 0.0 106.19 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.047 2.092 . . . . 0.0 109.482 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.197 1.475 . . . . 0.0 109.299 -176.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.668 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 114.679 -2.582 . . . . 0.0 105.733 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 127.451 2.97 . . . . 0.0 105.874 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.463 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 175.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.147 0.499 . . . . 0.0 109.842 178.445 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.21 38.14 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.306 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.484 -179.812 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.26 31.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 127.006 2.691 . . . . 0.0 108.909 178.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.456 4.847 . . . . 0.0 108.807 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.531 175.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.387 4.179 . . . . 0.0 108.072 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.77 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.078 0.861 . . . . 0.0 112.581 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 115.771 -2.372 . . . . 0.0 111.948 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.622 0 O-C-N 120.127 -1.608 . . . . 0.0 116.135 179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.582 2.426 . . . . 0.0 106.025 176.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.547 3.029 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.82 36.62 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.289 -1.764 . . . . 0.0 108.215 178.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.425 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.27 44.61 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 129.209 4.068 . . . . 0.0 103.542 174.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.59 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.675 3.109 . . . . 0.0 111.194 -177.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.55 37.7 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.282 174.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.47 39.61 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.585 2.19 . . . . 0.0 111.961 177.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.873 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.876 -179.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.43 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.171 2.794 . . . . 0.0 110.376 175.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.327 -0.858 . . . . 0.0 110.691 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.43 86.88 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.35 1.06 . . . . 0.0 111.492 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.016 1.447 . . . . 0.0 109.299 178.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.93 83.62 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.05 87.11 Favored 'General case' 0 C--O 1.279 2.606 0 CA-C-N 117.998 0.363 . . . . 0.0 111.241 176.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.32 87.04 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.38 -1.45 . . . . 0.0 110.784 176.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.4 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.476 2.56 . . . . 0.0 109.012 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.719 179.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.656 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.169 2.713 . . . . 0.0 113.941 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.31 0 N-CA-C 118.881 2.312 . . . . 0.0 118.881 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.88 83.4 Favored Pre-proline 0 C--O 1.244 0.772 0 C-N-CA 118.827 -1.149 . . . . 0.0 111.011 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.68 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.119 2.546 . . . . 0.0 110.952 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.13 92.69 Favored 'Trans proline' 0 C--O 1.262 1.699 0 C-N-CA 120.687 0.925 . . . . 0.0 113.43 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.978 -1.702 . . . . 0.0 112.217 -177.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.56 28.66 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 120.495 -1.378 . . . . 0.0 112.011 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.303 2.002 . . . . 0.0 115.643 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.455 1.025 . . . . 0.0 109.961 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.153 1.533 . . . . 0.0 111.904 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.52 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.22 -2.264 . . . . 0.0 110.789 177.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.58 61.03 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.375 2.893 . . . . 0.0 117.503 -179.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.018 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.74 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.067 1.48 . . . . 0.0 109.922 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.2 29.84 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.724 3.601 . . . . 0.0 120.724 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -177.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.015 -1.873 . . . . 0.0 108.017 176.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.49 164.55 11.67 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.127 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.56 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.454 1.121 . . . . 0.0 110.737 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.994 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.5 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.586 1.994 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.36 30.18 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.111 -2.376 . . . . 0.0 106.235 175.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.08 2.112 . . . . 0.0 109.522 -176.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.79 143.05 26.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.215 1.484 . . . . 0.0 109.251 -176.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.12 10.61 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.54 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.75 52.29 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.66 19.08 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.731 174.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.67 135.83 46.37 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 127.481 2.988 . . . . 0.0 105.877 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.86 30.91 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.512 176.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.93 28.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.167 0.508 . . . . 0.0 109.837 178.457 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.84 31.66 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.267 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.513 -179.654 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 127.008 2.692 . . . . 0.0 108.866 178.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.471 4.857 . . . . 0.0 108.806 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.01 114.21 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.487 175.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.388 4.18 . . . . 0.0 108.058 -178.157 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.37 -6.99 49.76 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 112.599 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.799 -2.36 . . . . 0.0 112.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.5 80.32 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.146 -1.596 . . . . 0.0 116.121 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.04 34.43 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 174.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.81 55.37 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 126.587 2.429 . . . . 0.0 106.009 176.157 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.04 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 127.577 3.048 . . . . 0.0 109.037 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.75 36.74 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.01 44.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.44 -179.194 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.38 Favored 'General case' 0 N--CA 1.498 1.957 1 O-C-N 129.186 4.054 . . . . 0.0 103.597 173.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 O-C-N 127.657 3.098 . . . . 0.0 111.187 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.321 174.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.45 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.572 2.182 . . . . 0.0 111.932 177.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.12 59.12 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.899 -177.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.843 -179.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.44 21.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.173 2.796 . . . . 0.0 110.346 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.4 78.93 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.317 -0.865 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.51 86.7 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.325 1.05 . . . . 0.0 111.523 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.075 1.484 . . . . 0.0 109.299 178.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.92 83.67 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.787 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.99 86.94 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 118.027 0.376 . . . . 0.0 111.209 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 120.383 -1.448 . . . . 0.0 110.788 176.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.6 79.29 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.511 2.576 . . . . 0.0 109.028 179.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.77 66.46 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.642 -1.617 . . . . 0.0 111.758 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.44 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -175.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.49 -6.4 8.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.125 2.693 . . . . 0.0 113.984 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.828 2.291 . . . . 0.0 118.828 176.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.84 83.28 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.036 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.9 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.15 2.567 . . . . 0.0 110.894 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.711 0 O-C-N 122.862 0.927 . . . . 0.0 113.413 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 119.961 -1.712 . . . . 0.0 112.205 -177.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.45 28.89 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.451 -1.406 . . . . 0.0 111.989 178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.322 2.01 . . . . 0.0 115.638 -177.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.441 1.019 . . . . 0.0 109.933 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.16 1.537 . . . . 0.0 111.882 -177.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.04 19.44 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.264 -2.244 . . . . 0.0 110.785 177.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.34 2.876 . . . . 0.0 117.522 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.4 37.47 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.026 -175.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.71 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.061 1.475 . . . . 0.0 109.972 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.21 29.95 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.696 3.591 . . . . 0.0 120.696 -175.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.25 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.104 1.201 . . . . 0.0 116.104 -177.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 119.986 -1.891 . . . . 0.0 107.946 176.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.157 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.19 79.38 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.342 -1.743 . . . . 0.0 112.149 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.38 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.388 1.089 . . . . 0.0 110.641 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.73 51.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.989 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.33 18.52 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.557 1.98 . . . . 0.0 111.168 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.075 0 CA-C-O 115.142 -2.361 . . . . 0.0 106.137 175.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.084 2.115 . . . . 0.0 109.552 -176.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.448 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 0.5 OUTLIER -54.71 143.06 26.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 123.257 1.503 . . . . 0.0 109.28 -176.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.85 19.2 10.68 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.46 34.68 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.7 52.19 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.748 174.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 127.388 2.93 . . . . 0.0 105.862 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.571 -1.204 . . . . 0.0 111.507 176.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.187 0.518 . . . . 0.0 109.866 178.394 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.07 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.292 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.449 -179.415 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.31 31.7 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.972 2.67 . . . . 0.0 108.921 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.443 4.839 . . . . 0.0 108.773 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.16 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.514 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.53 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.386 4.179 . . . . 0.0 108.025 -178.136 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.62 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.994 0.809 . . . . 0.0 112.597 -177.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.05 30.06 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.802 -2.359 . . . . 0.0 112.011 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.099 -1.625 . . . . 0.0 116.122 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.74 55.36 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.637 2.461 . . . . 0.0 106.04 176.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 127.552 3.032 . . . . 0.0 109.003 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.68 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.317 -1.753 . . . . 0.0 108.217 178.12 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.24 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.436 -179.198 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.02 1 O-C-N 129.196 4.06 . . . . 0.0 103.548 173.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.63 15.72 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.668 3.105 . . . . 0.0 111.215 -177.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.345 174.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.48 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 122.562 2.174 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.843 -177.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.858 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 127.198 2.811 . . . . 0.0 110.362 175.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.401 -0.812 . . . . 0.0 110.724 177.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.48 86.87 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 124.307 1.043 . . . . 0.0 111.549 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.47 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.051 1.47 . . . . 0.0 109.329 178.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -38.0 83.86 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.791 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.97 87.0 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 118.021 0.373 . . . . 0.0 111.248 176.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.35 -37.3 87.03 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 120.377 -1.452 . . . . 0.0 110.81 176.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.56 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.54 79.6 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.579 2.609 . . . . 0.0 109.003 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.68 66.67 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.705 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.44 17.94 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.113 2.688 . . . . 0.0 113.962 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.066 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.92 79.57 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.121 2.548 . . . . 0.0 110.898 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 122.878 0.936 . . . . 0.0 113.448 -179.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.32 -15.51 63.59 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 119.983 -1.698 . . . . 0.0 112.216 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.42 28.96 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.504 -1.372 . . . . 0.0 112.047 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.289 1.995 . . . . 0.0 115.609 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 24.0 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.63 130.27 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.483 1.038 . . . . 0.0 109.952 -177.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 O-C-N 125.177 1.548 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.7 18.94 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.07 19.24 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 112.259 -2.246 . . . . 0.0 110.797 177.402 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.52 60.93 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.324 2.869 . . . . 0.0 117.474 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.024 -175.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.74 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.042 1.463 . . . . 0.0 109.924 -177.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.23 29.1 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.26 Favored Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.315 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.003 -1.881 . . . . 0.0 107.996 176.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.22 79.34 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.175 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.23 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.455 1.121 . . . . 0.0 110.747 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.977 179.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.38 18.51 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 121.521 1.964 . . . . 0.0 111.233 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.45 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.166 -2.35 . . . . 0.0 106.135 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 126.106 2.129 . . . . 0.0 109.482 -176.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -54.77 143.02 26.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.221 1.486 . . . . 0.0 109.273 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.21 10.65 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.56 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 118.275 -0.869 . . . . 0.0 108.688 175.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.61 19.15 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.721 175.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.352 2.908 . . . . 0.0 105.883 177.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.863 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.533 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.234 0.54 . . . . 0.0 109.787 178.487 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.25 32.51 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.251 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.45 -179.954 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 127.009 2.693 . . . . 0.0 108.921 178.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 173.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.23 49.46 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.472 4.857 . . . . 0.0 108.773 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.49 41.2 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.396 4.185 . . . . 0.0 108.034 -178.162 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.79 8.35 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.829 -1.082 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.98 49.85 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.036 0.835 . . . . 0.0 112.575 -177.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.97 30.3 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 115.844 -2.342 . . . . 0.0 112.02 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.37 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.171 -1.58 . . . . 0.0 116.077 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.09 34.35 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.76 55.29 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.616 2.447 . . . . 0.0 106.01 176.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.04 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.042 . . . . 0.0 109.055 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.81 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.236 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.04 44.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 115.352 -2.261 . . . . 0.0 108.429 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.38 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.233 4.083 . . . . 0.0 103.539 174.01 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.717 3.136 . . . . 0.0 111.191 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.303 174.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.04 -24.35 39.66 Favored 'Trans proline' 0 C--N 1.319 -0.98 0 C-N-CA 122.513 2.142 . . . . 0.0 111.971 177.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.12 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.901 -177.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.54 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.304 -1.759 . . . . 0.0 109.883 -179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.244 2.84 . . . . 0.0 110.328 175.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.43 79.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.393 -0.817 . . . . 0.0 110.751 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.48 86.95 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 124.324 1.05 . . . . 0.0 111.5 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.48 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 125.006 1.441 . . . . 0.0 109.335 178.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.03 83.82 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.731 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.24 Favored 'General case' 0 C--O 1.279 2.611 0 CA-C-N 118.025 0.375 . . . . 0.0 111.196 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -37.42 87.41 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.415 -1.428 . . . . 0.0 110.802 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.48 77.57 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.26 -48.54 79.48 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 125.494 2.569 . . . . 0.0 108.996 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.57 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.745 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.95 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.34 8.08 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.09 2.677 . . . . 0.0 113.94 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.35 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.03 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.574 0 C-N-CA 123.117 2.545 . . . . 0.0 110.91 178.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.09 92.52 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 122.857 0.925 . . . . 0.0 113.386 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.55 63.61 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 119.937 -1.727 . . . . 0.0 112.184 -177.419 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.5 28.8 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.481 -1.387 . . . . 0.0 112.066 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.267 1.984 . . . . 0.0 115.667 -177.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.93 23.93 Favored 'General case' 0 C--O 1.295 3.5 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 172.063 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.55 130.29 50.93 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.411 1.005 . . . . 0.0 109.978 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.168 1.543 . . . . 0.0 111.906 -177.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.89 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.04 19.58 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.223 -2.262 . . . . 0.0 110.752 177.365 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.335 2.874 . . . . 0.0 117.516 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.34 34.59 Favored 'General case' 0 C--O 1.259 1.605 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 174.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.33 37.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.03 -175.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.72 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.078 1.486 . . . . 0.0 109.937 -177.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.29 29.04 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.82 85.35 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.57 165.64 16.9 Favored 'General case' 0 C--O 1.251 1.135 0 O-C-N 120.001 -1.882 . . . . 0.0 108.006 176.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 177.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.15 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.134 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.32 70.6 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.51 1.148 . . . . 0.0 110.77 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.985 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.35 18.44 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 121.536 1.971 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.187 175.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.54 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.073 2.108 . . . . 0.0 109.505 -176.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -54.78 143.06 26.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.226 1.489 . . . . 0.0 109.242 -176.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.13 10.63 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.57 34.44 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.68 19.06 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.657 -2.592 . . . . 0.0 105.759 174.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.239 0 O-C-N 127.431 2.957 . . . . 0.0 105.857 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.786 0 CA-C-O 117.604 -1.188 . . . . 0.0 111.545 176.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.618 -2.734 . . . . 0.0 103.618 175.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.138 0.494 . . . . 0.0 109.865 178.459 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.05 35.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.325 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.493 -178.087 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.26 31.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 126.981 2.675 . . . . 0.0 108.916 178.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.665 1 O-C-N 130.457 4.848 . . . . 0.0 108.794 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.52 175.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.49 41.24 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.428 4.205 . . . . 0.0 108.062 -178.171 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.8 8.35 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.0 49.94 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.106 0.879 . . . . 0.0 112.614 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 115.822 -2.351 . . . . 0.0 111.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.108 -1.62 . . . . 0.0 116.132 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.578 2.424 . . . . 0.0 106.002 176.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.96 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.571 3.045 . . . . 0.0 109.027 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.237 -1.785 . . . . 0.0 108.252 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 115.38 -2.247 . . . . 0.0 108.456 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.5 Favored 'General case' 0 N--CA 1.499 2.022 1 O-C-N 129.2 4.062 . . . . 0.0 103.575 173.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.747 3.154 . . . . 0.0 111.214 -177.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.5 37.65 Favored Pre-proline 0 C--N 1.313 -0.991 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.327 174.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.48 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.565 2.176 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.2 59.16 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.913 -177.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.53 47.49 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.908 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.43 21.18 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 127.165 2.791 . . . . 0.0 110.374 175.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.46 79.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 176.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.95 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.331 1.052 . . . . 0.0 111.534 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.108 1.505 . . . . 0.0 109.362 178.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.94 83.63 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.26 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-N 117.974 0.352 . . . . 0.0 111.243 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.35 87.18 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 120.34 -1.475 . . . . 0.0 110.776 176.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.46 77.48 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.57 79.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.512 2.577 . . . . 0.0 109.035 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.77 66.58 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.765 179.14 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.5 -6.42 8.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.13 2.695 . . . . 0.0 114.009 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.14 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.891 2.316 . . . . 0.0 118.891 176.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.64 124.84 83.49 Favored Pre-proline 0 C--O 1.243 0.715 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.989 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.95 79.76 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.124 2.549 . . . . 0.0 110.967 178.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.29 -32.09 92.73 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.851 0.921 . . . . 0.0 113.44 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.902 -1.749 . . . . 0.0 112.175 -177.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.535 -1.353 . . . . 0.0 112.034 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.292 1.996 . . . . 0.0 115.646 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.22 50.97 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.453 1.024 . . . . 0.0 110.018 -177.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 125.127 1.517 . . . . 0.0 111.879 -177.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 177.563 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.04 19.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 112.249 -2.251 . . . . 0.0 110.739 177.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.55 60.94 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.355 2.883 . . . . 0.0 117.524 -179.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 103.814 -2.662 . . . . 0.0 103.814 174.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.33 37.53 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.033 -175.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 125.02 1.45 . . . . 0.0 109.946 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.14 -42.19 28.73 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.23 Favored Glycine 0 CA--C 1.491 -1.426 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 120.045 -1.856 . . . . 0.0 108.012 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.27 -36.16 79.26 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.338 -1.745 . . . . 0.0 112.139 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.34 70.48 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.455 1.121 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.7 51.35 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.703 -1.142 . . . . 0.0 112.986 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 121.549 1.977 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.024 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.204 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.56 8.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 126.12 2.138 . . . . 0.0 109.488 -176.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.78 143.05 26.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 123.173 1.463 . . . . 0.0 109.273 -176.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.58 34.44 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.26 126.7 52.12 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 174.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.45 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.431 2.957 . . . . 0.0 105.874 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.573 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 175.193 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.194 0.521 . . . . 0.0 109.797 178.469 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.98 38.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 113.358 -3.211 . . . . 0.0 105.489 -179.291 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.946 2.654 . . . . 0.0 108.956 178.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.0 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.27 49.4 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.463 4.852 . . . . 0.0 108.821 179.547 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.388 -3.196 . . . . 0.0 105.546 175.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.275 1 O-C-N 129.386 4.179 . . . . 0.0 108.049 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.96 49.6 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.055 0.847 . . . . 0.0 112.592 -177.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.845 -2.342 . . . . 0.0 111.952 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.44 80.36 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.135 -1.603 . . . . 0.0 116.164 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 174.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 126.642 2.464 . . . . 0.0 106.047 176.147 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.638 3.086 . . . . 0.0 109.058 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.76 36.64 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.218 -1.793 . . . . 0.0 108.237 178.142 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.01 44.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.26 44.58 Favored 'General case' 0 N--CA 1.499 1.995 1 O-C-N 129.194 4.058 . . . . 0.0 103.539 173.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.63 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 O-C-N 127.697 3.123 . . . . 0.0 111.205 -177.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.46 37.62 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.171 -2.286 . . . . 0.0 106.312 174.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.35 39.37 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.524 2.149 . . . . 0.0 111.987 177.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.889 -177.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.54 47.44 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.835 -179.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.46 21.24 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.31 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.134 2.771 . . . . 0.0 110.419 175.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.51 79.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.342 -0.849 . . . . 0.0 110.763 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.18 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.306 1.042 . . . . 0.0 111.524 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.093 1.495 . . . . 0.0 109.322 178.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.91 Favored 'General case' 0 C--O 1.255 1.383 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.944 0.338 . . . . 0.0 111.212 176.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.424 -1.422 . . . . 0.0 110.77 176.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.56 79.44 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.512 2.577 . . . . 0.0 108.991 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.72 66.37 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.781 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.679 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.39 8.11 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.101 2.682 . . . . 0.0 113.957 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.37 90.12 Favored Glycine 0 CA--C 1.477 -2.323 0 N-CA-C 118.895 2.318 . . . . 0.0 118.895 176.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 118.843 -1.143 . . . . 0.0 111.014 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.03 136.98 79.89 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.187 2.591 . . . . 0.0 110.907 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.21 92.9 Favored 'Trans proline' 0 C--O 1.261 1.674 0 C-N-CA 120.703 0.935 . . . . 0.0 113.42 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.974 -1.703 . . . . 0.0 112.202 -177.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.495 -1.378 . . . . 0.0 112.021 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 124.297 1.998 . . . . 0.0 115.645 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 172.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 50.98 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 119.467 1.031 . . . . 0.0 109.993 -177.52 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.8 72.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 125.166 1.541 . . . . 0.0 111.902 -177.495 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.66 18.96 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.786 177.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.58 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.371 2.891 . . . . 0.0 117.536 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.43 37.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.786 -1.102 . . . . 0.0 110.006 -175.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.73 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.063 1.477 . . . . 0.0 109.936 -177.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.23 29.91 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.662 3.578 . . . . 0.0 120.662 -175.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.3 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.61 16.98 Favored 'General case' 0 C--O 1.25 1.124 0 O-C-N 120.016 -1.873 . . . . 0.0 108.016 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.24 79.37 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.163 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.57 70.75 Favored 'General case' 0 C--O 1.268 2.046 0 C-N-CA 117.339 -1.744 . . . . 0.0 112.116 -179.479 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.27 70.68 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.505 1.145 . . . . 0.0 110.713 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.967 179.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.35 18.46 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.545 1.975 . . . . 0.0 111.173 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.45 30.39 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 CA-C-O 115.099 -2.381 . . . . 0.0 106.2 175.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.077 2.111 . . . . 0.0 109.51 -176.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 143.02 26.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 123.198 1.475 . . . . 0.0 109.268 -176.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.51 34.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.69 52.17 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.67 19.07 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.697 -2.573 . . . . 0.0 105.704 174.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.78 46.44 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.442 2.964 . . . . 0.0 105.871 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.809 0 CA-C-O 117.586 -1.197 . . . . 0.0 111.531 176.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.607 -2.738 . . . . 0.0 103.607 175.103 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 178.461 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.35 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.498 -179.815 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.954 2.659 . . . . 0.0 108.951 178.273 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.23 49.44 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.46 4.85 . . . . 0.0 108.81 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.14 114.25 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.431 -3.176 . . . . 0.0 105.501 175.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.45 41.25 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.406 4.191 . . . . 0.0 108.042 -178.117 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.8 8.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.53 -6.91 49.47 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 124.061 0.851 . . . . 0.0 112.601 -177.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.803 -2.359 . . . . 0.0 112.003 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.583 0 O-C-N 120.15 -1.594 . . . . 0.0 116.116 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.09 34.4 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.74 55.32 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.641 2.463 . . . . 0.0 106.028 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 127.62 3.075 . . . . 0.0 109.06 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.81 36.57 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.268 178.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.0 44.31 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.359 -2.257 . . . . 0.0 108.432 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.223 4.077 . . . . 0.0 103.565 174.003 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.04 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 O-C-N 127.691 3.119 . . . . 0.0 111.181 -177.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.55 37.86 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.133 -2.303 . . . . 0.0 106.306 174.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.533 2.155 . . . . 0.0 111.98 177.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.15 59.12 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.922 -177.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.87 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.37 21.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.17 2.794 . . . . 0.0 110.311 175.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.375 -0.828 . . . . 0.0 110.751 176.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.41 87.05 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.301 1.04 . . . . 0.0 111.531 -179.641 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 178.498 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.87 -37.88 83.65 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.01 86.96 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 117.987 0.358 . . . . 0.0 111.225 176.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.422 -1.424 . . . . 0.0 110.816 176.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.52 77.61 Favored 'Isoleucine or valine' 0 C--O 1.253 1.252 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.62 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.458 2.552 . . . . 0.0 108.973 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.74 66.49 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.694 179.189 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.47 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 -175.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 123.092 2.678 . . . . 0.0 113.947 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.34 90.13 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.838 2.295 . . . . 0.0 118.838 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.36 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.763 -1.175 . . . . 0.0 111.01 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.93 79.62 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.106 2.538 . . . . 0.0 110.936 178.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.662 0 O-C-N 122.872 0.933 . . . . 0.0 113.421 -179.313 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.948 -1.72 . . . . 0.0 112.21 -177.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.44 28.86 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.527 -1.358 . . . . 0.0 112.048 178.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.88 129.77 34.76 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.308 2.004 . . . . 0.0 115.615 -177.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.98 24.0 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 172.097 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.26 51.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.443 1.02 . . . . 0.0 110.009 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.188 1.555 . . . . 0.0 111.891 -177.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.92 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.03 19.38 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.262 -2.244 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.5 61.05 Favored Glycine 0 N--CA 1.432 -1.587 0 C-N-CA 128.34 2.876 . . . . 0.0 117.503 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.688 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.086 -175.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.109 1.506 . . . . 0.0 109.976 -177.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.21 29.88 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.73 3.604 . . . . 0.0 120.73 -175.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.32 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 -177.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.63 16.96 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 119.962 -1.905 . . . . 0.0 107.973 176.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.64 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.119 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.19 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.82 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.356 -1.738 . . . . 0.0 112.164 -179.441 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 122.45 1.119 . . . . 0.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.47 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.976 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.39 18.36 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 121.543 1.974 . . . . 0.0 111.179 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.37 30.23 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.169 -2.348 . . . . 0.0 106.194 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.086 2.116 . . . . 0.0 109.533 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.421 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 38.9 ttpt -54.79 143.02 26.84 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.215 1.483 . . . . 0.0 109.262 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.55 34.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.722 174.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.76 46.45 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 127.405 2.94 . . . . 0.0 105.871 177.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.82 30.84 Favored 'General case' 0 C--O 1.283 2.829 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.51 176.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.186 0.517 . . . . 0.0 109.846 178.389 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.7 36.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.237 0 CA-C-O 113.381 -3.2 . . . . 0.0 105.501 -179.791 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 126.987 2.679 . . . . 0.0 108.964 178.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.21 162.98 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 CA-C-O 115.941 -1.98 . . . . 0.0 105.662 173.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.18 49.47 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.486 4.866 . . . . 0.0 108.816 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.484 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.366 4.166 . . . . 0.0 108.077 -178.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.54 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.049 0.843 . . . . 0.0 112.608 -177.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.06 30.03 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.779 -2.368 . . . . 0.0 111.967 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.619 0 O-C-N 120.144 -1.597 . . . . 0.0 116.121 179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.35 138.11 34.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.76 55.31 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.617 2.448 . . . . 0.0 106.034 176.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.97 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.609 3.068 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.249 -1.78 . . . . 0.0 108.254 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 115.315 -2.279 . . . . 0.0 108.464 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.26 4.1 . . . . 0.0 103.601 173.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.68 15.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.746 3.154 . . . . 0.0 111.188 -177.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.314 174.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.45 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.611 2.207 . . . . 0.0 111.978 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.906 -177.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.59 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.876 -179.063 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.43 21.27 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.19 2.806 . . . . 0.0 110.356 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.41 79.32 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.347 -0.845 . . . . 0.0 110.717 177.031 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.53 86.94 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 124.384 1.074 . . . . 0.0 111.48 -179.628 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 125.058 1.474 . . . . 0.0 109.266 178.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.71 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.802 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.23 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 117.94 0.336 . . . . 0.0 111.237 176.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.434 -1.416 . . . . 0.0 110.799 176.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.47 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.186 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.55 79.52 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.531 2.586 . . . . 0.0 108.985 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.73 66.61 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 113.644 -1.616 . . . . 0.0 111.732 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.689 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.31 8.11 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.136 2.698 . . . . 0.0 113.963 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.32 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.784 -1.167 . . . . 0.0 110.985 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.258 1.525 0 C-N-CA 123.141 2.56 . . . . 0.0 110.928 178.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.12 92.7 Favored 'Trans proline' 0 C--O 1.261 1.673 0 C-N-CA 120.678 0.919 . . . . 0.0 113.428 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 119.999 -1.688 . . . . 0.0 112.183 -177.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.78 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.463 -1.398 . . . . 0.0 112.029 178.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.318 2.008 . . . . 0.0 115.635 -177.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.98 24.01 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.907 -2.256 . . . . 0.0 104.907 172.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.28 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.461 1.028 . . . . 0.0 109.993 -177.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.154 1.534 . . . . 0.0 111.926 -177.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.68 18.93 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.02 19.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.736 177.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.55 61.06 Favored Glycine 0 N--CA 1.432 -1.617 0 C-N-CA 128.387 2.899 . . . . 0.0 117.526 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.67 46.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 174.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.048 -175.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.0 36.77 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.053 1.471 . . . . 0.0 109.926 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.25 29.32 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 120.703 3.594 . . . . 0.0 120.703 -175.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.367 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 120.038 -1.86 . . . . 0.0 107.985 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.53 11.69 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.23 79.25 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.65 70.82 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.314 -1.755 . . . . 0.0 112.16 -179.449 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.46 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.415 1.102 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.7 51.38 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.953 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.34 18.43 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 121.558 1.981 . . . . 0.0 111.196 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.056 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.21 175.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.099 2.124 . . . . 0.0 109.522 -176.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -54.76 143.02 26.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.235 1.493 . . . . 0.0 109.24 -176.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.18 10.61 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 174.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.71 52.15 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.052 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.74 46.49 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.437 2.961 . . . . 0.0 105.89 177.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.89 Favored 'General case' 0 C--O 1.282 2.807 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.487 176.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.194 0.521 . . . . 0.0 109.827 178.453 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.38 36.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.26 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.494 179.693 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.99 2.681 . . . . 0.0 108.946 178.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 CA-C-O 115.947 -1.978 . . . . 0.0 105.671 173.371 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.505 4.878 . . . . 0.0 108.776 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.499 175.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.406 4.192 . . . . 0.0 108.042 -178.157 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.79 8.36 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.795 -1.097 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.94 49.62 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.082 0.864 . . . . 0.0 112.609 -178.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 115.839 -2.344 . . . . 0.0 111.986 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.51 80.29 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.092 -1.63 . . . . 0.0 116.118 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.07 34.46 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.79 55.33 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 126.626 2.454 . . . . 0.0 106.019 176.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.642 3.089 . . . . 0.0 109.007 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.63 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 117.271 -1.772 . . . . 0.0 108.192 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.463 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.188 4.055 . . . . 0.0 103.577 174.014 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.66 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.661 3.101 . . . . 0.0 111.231 -177.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.71 Favored Pre-proline 0 C--N 1.314 -0.977 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.317 174.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.5 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.539 2.159 . . . . 0.0 111.934 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.92 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.51 47.44 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.864 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.32 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 127.258 2.849 . . . . 0.0 110.362 175.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.49 78.95 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.327 -0.858 . . . . 0.0 110.663 177.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.47 87.23 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.3 1.04 . . . . 0.0 111.515 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.096 1.498 . . . . 0.0 109.32 178.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.01 83.79 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.35 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 117.985 0.357 . . . . 0.0 111.226 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.33 87.09 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 120.363 -1.461 . . . . 0.0 110.797 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.05 -39.43 77.27 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.15 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.531 2.586 . . . . 0.0 109.026 179.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.44 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.724 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.34 17.94 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -175.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.081 2.673 . . . . 0.0 113.956 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.36 90.15 Favored Glycine 0 CA--C 1.478 -2.245 0 N-CA-C 118.864 2.305 . . . . 0.0 118.864 176.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.9 83.37 Favored Pre-proline 0 C--O 1.243 0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.045 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.572 0 C-N-CA 123.151 2.568 . . . . 0.0 110.913 178.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.693 0 C-N-CA 120.675 0.917 . . . . 0.0 113.463 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.789 0 O-C-N 120.01 -1.681 . . . . 0.0 112.224 -177.466 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.46 28.83 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.478 -1.389 . . . . 0.0 112.011 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.304 2.002 . . . . 0.0 115.64 -177.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.295 3.496 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 172.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.26 50.98 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.464 1.029 . . . . 0.0 109.988 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.189 1.556 . . . . 0.0 111.904 -177.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.53 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.738 177.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.551 0 C-N-CA 128.328 2.87 . . . . 0.0 117.48 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.41 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.049 -175.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 125.038 1.461 . . . . 0.0 109.982 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.87 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.88 85.2 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.328 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.62 17.01 Favored 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.031 -1.864 . . . . 0.0 107.98 176.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.55 11.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.19 79.15 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.187 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.57 70.72 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 117.337 -1.745 . . . . 0.0 112.166 -179.491 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.36 70.51 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.66 51.42 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.01 179.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.35 18.29 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 121.541 1.973 . . . . 0.0 111.216 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.148 -2.358 . . . . 0.0 106.182 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.51 8.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.081 2.113 . . . . 0.0 109.515 -176.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -54.7 143.02 26.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.232 1.491 . . . . 0.0 109.284 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 179.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.65 52.08 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 175.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.6 19.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.717 -2.564 . . . . 0.0 105.689 174.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.4 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 127.42 2.95 . . . . 0.0 105.864 177.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.472 176.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.592 -2.744 . . . . 0.0 103.592 175.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.158 0.504 . . . . 0.0 109.832 178.441 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.03 32.83 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.245 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.462 -179.656 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.22 31.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 126.943 2.652 . . . . 0.0 108.901 178.322 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.513 2.705 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.511 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.505 2.281 1 O-C-N 129.413 4.196 . . . . 0.0 108.008 -178.108 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -7.0 49.89 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.05 0.844 . . . . 0.0 112.602 -177.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.23 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 115.814 -2.354 . . . . 0.0 112.023 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.4 80.4 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.122 -1.611 . . . . 0.0 116.129 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.21 138.09 34.33 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.66 2.475 . . . . 0.0 105.993 176.155 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 127.626 3.079 . . . . 0.0 109.028 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.79 36.62 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.256 178.087 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.98 44.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.158 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.29 44.66 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 129.188 4.055 . . . . 0.0 103.634 173.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.58 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.209 -177.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 112.11 -2.313 . . . . 0.0 106.317 174.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.42 39.59 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 122.59 2.193 . . . . 0.0 111.891 177.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.09 59.11 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.917 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.48 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.378 -1.729 . . . . 0.0 109.826 -179.021 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.42 21.21 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.186 2.804 . . . . 0.0 110.369 175.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.741 176.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.0 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.269 1.028 . . . . 0.0 111.504 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.44 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.043 1.464 . . . . 0.0 109.303 178.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.71 -38.03 83.7 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.21 Favored 'General case' 0 C--O 1.278 2.589 0 CA-C-N 118.032 0.378 . . . . 0.0 111.224 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.09 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.432 -1.418 . . . . 0.0 110.785 176.061 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.51 77.5 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.56 79.48 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.559 2.599 . . . . 0.0 108.991 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.73 66.68 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.639 -1.618 . . . . 0.0 111.714 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.48 17.94 Favored 'General case' 0 C--O 1.279 2.648 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -175.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.39 8.12 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 123.1 2.682 . . . . 0.0 113.976 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.252 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.741 -1.183 . . . . 0.0 111.014 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.92 79.55 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.138 2.559 . . . . 0.0 110.908 178.204 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 120.684 0.923 . . . . 0.0 113.416 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.1 -15.65 63.68 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.954 -1.716 . . . . 0.0 112.179 -177.396 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.94 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.532 -1.355 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.289 1.995 . . . . 0.0 115.601 -177.656 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.521 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 172.077 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.3 50.97 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.461 1.028 . . . . 0.0 110.001 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.176 1.547 . . . . 0.0 111.897 -177.483 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 177.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.01 19.22 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.764 177.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.433 -1.566 0 C-N-CA 128.281 2.848 . . . . 0.0 117.557 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.61 46.4 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.28 34.61 Favored 'General case' 0 C--O 1.258 1.549 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.4 37.44 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.993 -175.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.98 36.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 125.132 1.52 . . . . 0.0 109.954 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.43 Favored 'General case' 0 C--O 1.265 1.919 0 N-CA-C 120.732 3.605 . . . . 0.0 120.732 -175.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.81 85.32 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.56 17.0 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 119.981 -1.894 . . . . 0.0 107.95 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.26 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.125 -179.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.35 70.61 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.465 1.126 . . . . 0.0 110.741 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.64 51.52 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 117.69 -1.148 . . . . 0.0 113.0 179.243 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.31 18.44 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 121.582 1.992 . . . . 0.0 111.212 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.38 Favored 'Isoleucine or valine' 0 C--O 1.269 2.088 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.203 175.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.08 2.112 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 52.1 tttm -54.76 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.203 1.478 . . . . 0.0 109.277 -176.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.11 10.65 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.05 159.5 34.61 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.688 -2.577 . . . . 0.0 105.695 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.77 46.38 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.488 2.992 . . . . 0.0 105.858 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.82 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.134 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.221 0.534 . . . . 0.0 109.821 178.451 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.1 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.16 36.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.272 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.509 -179.862 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.23 31.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.968 2.668 . . . . 0.0 108.923 178.341 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.07 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 173.41 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.434 4.834 . . . . 0.0 108.772 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.436 -3.173 . . . . 0.0 105.499 175.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.47 41.21 Favored 'General case' 0 N--CA 1.505 2.283 1 O-C-N 129.403 4.19 . . . . 0.0 108.075 -178.18 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.88 49.16 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.09 0.869 . . . . 0.0 112.589 -177.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.46 15.09 29.97 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 115.816 -2.354 . . . . 0.0 111.996 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.56 80.32 Favored Glycine 0 C--N 1.298 -1.573 0 O-C-N 120.175 -1.578 . . . . 0.0 116.076 179.742 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.03 34.49 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 174.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.75 55.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 126.6 2.438 . . . . 0.0 106.032 176.153 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.95 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.616 3.073 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.64 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.215 178.116 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 115.383 -2.246 . . . . 0.0 108.457 -179.213 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.44 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.188 4.055 . . . . 0.0 103.563 174.012 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.163 0 O-C-N 127.678 3.111 . . . . 0.0 111.189 -177.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.51 37.68 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.307 174.691 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.948 0 C-N-CA 122.563 2.175 . . . . 0.0 111.957 177.669 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.14 59.14 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.91 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.892 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.38 21.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.33 77.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.254 2.846 . . . . 0.0 110.409 175.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.41 78.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.364 -0.835 . . . . 0.0 110.727 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.84 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 111.524 -179.641 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.24 -46.47 88.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 125.065 1.478 . . . . 0.0 109.293 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.82 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.775 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.19 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 117.998 0.363 . . . . 0.0 111.225 176.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.46 -1.4 . . . . 0.0 110.813 176.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.51 79.59 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.519 2.581 . . . . 0.0 109.003 179.451 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.746 179.165 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.38 17.98 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.092 2.678 . . . . 0.0 113.95 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.3 90.16 Favored Glycine 0 CA--C 1.477 -2.327 0 N-CA-C 118.915 2.326 . . . . 0.0 118.915 176.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.006 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.168 2.579 . . . . 0.0 110.975 178.14 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.69 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.887 0.941 . . . . 0.0 113.398 -179.323 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.895 -1.753 . . . . 0.0 112.245 -177.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 120.48 -1.387 . . . . 0.0 112.06 178.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.75 34.78 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 124.291 1.996 . . . . 0.0 115.632 -177.643 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.533 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 172.109 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.27 50.98 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 119.476 1.034 . . . . 0.0 109.974 -177.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 125.144 1.527 . . . . 0.0 111.906 -177.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.63 18.89 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 177.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.24 -2.255 . . . . 0.0 110.769 177.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.04 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 128.386 2.898 . . . . 0.0 117.518 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.66 46.34 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.55 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 117.757 -1.116 . . . . 0.0 110.042 -175.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.99 36.77 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.051 1.469 . . . . 0.0 109.914 -177.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.27 29.24 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.733 3.605 . . . . 0.0 120.733 -175.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.9 85.22 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.287 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 119.978 -1.895 . . . . 0.0 107.98 176.558 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.121 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.23 79.32 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.183 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.178 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.34 70.66 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.454 1.121 . . . . 0.0 110.695 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.64 51.45 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.99 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.39 18.32 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 121.577 1.989 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.44 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.163 175.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.153 2.158 . . . . 0.0 109.489 -176.818 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 143.04 26.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.257 1.503 . . . . 0.0 109.213 -176.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 179.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.72 52.24 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.63 19.13 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 114.719 -2.563 . . . . 0.0 105.736 174.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.81 46.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.41 2.944 . . . . 0.0 105.858 177.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.618 -1.182 . . . . 0.0 111.521 176.56 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.566 -2.753 . . . . 0.0 103.566 175.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.237 0.541 . . . . 0.0 109.815 178.466 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.46 37.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.297 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.521 179.88 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.19 31.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.979 2.674 . . . . 0.0 108.956 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.01 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.43 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.492 4.87 . . . . 0.0 108.818 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.16 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.502 175.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.48 41.15 Favored 'General case' 0 N--CA 1.505 2.311 1 O-C-N 129.447 4.217 . . . . 0.0 108.016 -178.177 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.67 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.047 0.842 . . . . 0.0 112.624 -177.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.04 30.1 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 115.763 -2.375 . . . . 0.0 111.991 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.165 -1.584 . . . . 0.0 116.142 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.624 2.452 . . . . 0.0 106.013 176.154 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.605 3.066 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.75 36.65 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.199 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.03 44.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.373 -2.251 . . . . 0.0 108.45 -179.234 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.984 1 O-C-N 129.189 4.055 . . . . 0.0 103.564 174.025 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.62 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.677 3.111 . . . . 0.0 111.227 -177.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.6 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.351 174.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.42 39.23 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.576 2.184 . . . . 0.0 111.951 177.72 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.899 -177.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 117.344 -1.742 . . . . 0.0 109.914 -179.078 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.159 2.787 . . . . 0.0 110.363 175.759 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.38 79.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.316 -0.865 . . . . 0.0 110.704 177.026 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.4 87.0 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.251 1.02 . . . . 0.0 111.56 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.45 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.107 1.504 . . . . 0.0 109.323 178.5 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.92 83.62 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.08 87.29 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.373 -1.454 . . . . 0.0 110.799 176.02 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 125.556 2.598 . . . . 0.0 109.003 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.769 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.38 17.97 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.102 2.683 . . . . 0.0 113.984 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.44 90.07 Favored Glycine 0 CA--C 1.477 -2.33 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.524 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.028 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.91 79.33 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.134 2.556 . . . . 0.0 110.922 178.228 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.19 92.8 Favored 'Trans proline' 0 C--O 1.262 1.715 0 C-N-CA 120.704 0.936 . . . . 0.0 113.447 -179.366 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.61 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.939 -1.726 . . . . 0.0 112.184 -177.444 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.515 -1.366 . . . . 0.0 112.035 178.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.333 2.016 . . . . 0.0 115.602 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.529 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 172.065 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.23 51.0 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.477 1.035 . . . . 0.0 110.017 -177.559 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 O-C-N 125.191 1.557 . . . . 0.0 111.932 -177.509 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.431 -2.062 . . . . 0.0 105.431 177.528 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.97 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.318 -2.219 . . . . 0.0 110.74 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.52 61.02 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 128.376 2.893 . . . . 0.0 117.522 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -114.99 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.525 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.056 -175.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.115 1.509 . . . . 0.0 109.963 -177.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.2 29.33 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 120.683 3.586 . . . . 0.0 120.683 -175.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -8.79 85.29 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.329 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.044 -1.857 . . . . 0.0 108.017 176.483 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.112 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.25 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.124 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.03 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.178 -179.482 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.34 70.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.461 1.124 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.41 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.95 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 121.548 1.976 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.794 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.089 2.118 . . . . 0.0 109.472 -176.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -54.74 143.03 26.56 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.247 1.499 . . . . 0.0 109.216 -176.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.14 126.72 52.28 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 175.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.721 175.048 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.76 46.46 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 127.452 2.97 . . . . 0.0 105.87 177.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.801 0 CA-C-O 117.614 -1.184 . . . . 0.0 111.545 176.566 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 109.851 178.431 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.293 0 CA-C-O 113.347 -3.216 . . . . 0.0 105.461 -178.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.976 2.672 . . . . 0.0 108.921 178.307 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 173.395 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.14 49.54 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.436 4.835 . . . . 0.0 108.814 179.567 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.19 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.49 175.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.51 41.19 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.449 4.218 . . . . 0.0 108.018 -178.16 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.96 49.72 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 124.068 0.855 . . . . 0.0 112.649 -177.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.96 30.34 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.839 -2.344 . . . . 0.0 112.023 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.49 80.29 Favored Glycine 0 C--N 1.297 -1.587 0 O-C-N 120.123 -1.611 . . . . 0.0 116.112 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.05 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 174.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.633 2.458 . . . . 0.0 105.998 176.165 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.95 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 127.589 3.056 . . . . 0.0 109.026 179.67 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.61 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.2 -1.8 . . . . 0.0 108.205 178.132 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 115.368 -2.253 . . . . 0.0 108.462 -179.225 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.42 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.156 4.035 . . . . 0.0 103.569 174.007 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.674 3.109 . . . . 0.0 111.202 -177.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.5 37.73 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.15 -2.296 . . . . 0.0 106.304 174.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.43 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 122.535 2.156 . . . . 0.0 111.978 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.911 -177.518 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.861 -179.063 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 175.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 127.222 2.826 . . . . 0.0 110.372 175.755 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.32 79.12 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.384 -0.823 . . . . 0.0 110.717 176.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.57 -44.44 86.7 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 124.32 1.048 . . . . 0.0 111.499 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.5 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.083 1.49 . . . . 0.0 109.331 178.523 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.95 83.6 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.79 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.622 0 CA-C-N 118.002 0.364 . . . . 0.0 111.223 176.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.31 87.03 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.36 -1.462 . . . . 0.0 110.795 176.042 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.54 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.59 79.4 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.02 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.775 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.41 17.95 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -175.663 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.54 -6.41 8.11 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.942 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.38 90.13 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.514 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.82 83.34 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.8 -1.16 . . . . 0.0 111.011 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.87 79.21 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.163 2.575 . . . . 0.0 110.865 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.15 92.64 Favored 'Trans proline' 0 C--O 1.261 1.651 0 C-N-CA 120.706 0.937 . . . . 0.0 113.411 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.62 63.65 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.948 -1.72 . . . . 0.0 112.239 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.48 28.95 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.504 -1.373 . . . . 0.0 112.031 178.704 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.261 1.982 . . . . 0.0 115.67 -177.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.91 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.149 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.436 1.016 . . . . 0.0 109.936 -177.509 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.8 72.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.158 1.536 . . . . 0.0 111.841 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.7 19.02 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.296 -2.229 . . . . 0.0 110.764 177.348 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.432 -1.613 0 C-N-CA 128.39 2.9 . . . . 0.0 117.523 -179.469 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.581 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.35 37.45 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.994 -175.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.76 139.98 36.66 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.08 1.487 . . . . 0.0 109.966 -177.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.64 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 -175.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.23 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.341 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 120.0 -1.882 . . . . 0.0 107.979 176.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.58 11.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.125 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.22 79.33 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.211 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.183 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.28 70.62 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.417 1.103 . . . . 0.0 110.692 179.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.64 51.5 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 117.684 -1.15 . . . . 0.0 112.96 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.31 18.39 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 121.55 1.977 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.47 30.39 Favored 'Isoleucine or valine' 0 C--O 1.267 2.019 0 CA-C-O 115.197 -2.335 . . . . 0.0 106.162 175.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 126.061 2.101 . . . . 0.0 109.515 -176.809 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.42 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 18.4 ptpt -54.74 143.03 26.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.158 1.456 . . . . 0.0 109.276 -176.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 179.493 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.811 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.64 52.04 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.67 19.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 114.734 -2.555 . . . . 0.0 105.708 175.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.79 46.43 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 127.411 2.944 . . . . 0.0 105.868 177.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.805 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.495 176.567 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.182 0.515 . . . . 0.0 109.853 178.423 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.62 37.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.468 -179.666 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.904 2.627 . . . . 0.0 108.974 178.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 162.97 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 173.416 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.472 4.858 . . . . 0.0 108.78 179.585 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.444 -3.169 . . . . 0.0 105.478 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.48 41.26 Favored 'General case' 0 N--CA 1.505 2.299 1 O-C-N 129.372 4.17 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.78 8.37 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.01 49.94 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 124.011 0.819 . . . . 0.0 112.569 -177.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.804 -2.358 . . . . 0.0 111.975 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.46 80.34 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.124 -1.61 . . . . 0.0 116.099 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.07 34.43 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.575 2.422 . . . . 0.0 106.081 176.147 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 127.547 3.029 . . . . 0.0 109.041 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.79 36.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.245 -1.782 . . . . 0.0 108.217 178.142 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.432 -179.183 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.24 44.53 Favored 'General case' 0 N--CA 1.498 1.967 1 O-C-N 129.161 4.038 . . . . 0.0 103.577 174.007 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 O-C-N 127.752 3.157 . . . . 0.0 111.226 -177.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.72 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.333 174.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.43 39.36 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.604 2.203 . . . . 0.0 111.902 177.73 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.93 -177.51 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.55 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.9 -179.093 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.43 21.2 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.25 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 127.213 2.82 . . . . 0.0 110.392 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.698 177.011 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 124.302 1.041 . . . . 0.0 111.49 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 125.055 1.472 . . . . 0.0 109.306 178.523 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.09 87.42 Favored 'General case' 0 C--O 1.28 2.664 0 CA-C-N 117.978 0.353 . . . . 0.0 111.252 176.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.39 87.3 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.366 -1.459 . . . . 0.0 110.781 176.013 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.54 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.35 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 125.531 2.586 . . . . 0.0 109.034 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.53 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.771 179.106 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -175.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.31 8.1 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 123.145 2.702 . . . . 0.0 113.976 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.44 90.1 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.561 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.8 83.36 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 123.14 2.56 . . . . 0.0 110.908 178.245 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.15 92.83 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.857 0.925 . . . . 0.0 113.449 -179.373 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 120.01 -1.681 . . . . 0.0 112.185 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.45 28.9 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.518 -1.364 . . . . 0.0 112.012 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.311 2.005 . . . . 0.0 115.579 -177.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.295 3.476 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.07 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.426 1.012 . . . . 0.0 109.999 -177.572 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.83 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.194 1.559 . . . . 0.0 111.873 -177.456 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.7 19.0 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.543 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.96 19.51 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.266 -2.243 . . . . 0.0 110.778 177.396 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.64 61.08 Favored Glycine 0 N--CA 1.433 -1.554 0 C-N-CA 128.36 2.886 . . . . 0.0 117.51 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.653 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.39 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.044 -175.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.0 36.78 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.093 1.496 . . . . 0.0 109.943 -177.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.16 29.92 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.721 3.601 . . . . 0.0 120.721 -175.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.9 85.2 Favored Glycine 0 CA--C 1.492 -1.376 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.301 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.6 17.03 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.017 -1.872 . . . . 0.0 107.976 176.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.61 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.166 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.21 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.212 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.049 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.158 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.3 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.437 1.113 . . . . 0.0 110.725 179.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.991 179.282 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.39 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 121.549 1.977 . . . . 0.0 111.189 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.32 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.119 -2.372 . . . . 0.0 106.174 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.137 2.148 . . . . 0.0 109.53 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.77 143.01 26.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 123.234 1.492 . . . . 0.0 109.217 -176.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.418 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.48 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.16 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.63 19.11 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 114.693 -2.575 . . . . 0.0 105.758 174.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.8 46.36 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.37 2.919 . . . . 0.0 105.886 177.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.816 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.535 176.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.181 0.515 . . . . 0.0 109.822 178.468 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.14 35.56 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.236 0 CA-C-O 113.421 -3.18 . . . . 0.0 105.522 -179.731 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.21 31.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 127.002 2.689 . . . . 0.0 108.911 178.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.439 4.837 . . . . 0.0 108.772 179.615 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.449 175.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.5 41.22 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.418 4.198 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.93 49.45 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.082 0.864 . . . . 0.0 112.606 -177.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.79 -2.364 . . . . 0.0 111.96 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.134 -1.604 . . . . 0.0 116.111 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.08 34.39 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.82 55.34 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 126.591 2.432 . . . . 0.0 106.052 176.154 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.567 3.042 . . . . 0.0 109.048 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.273 -1.771 . . . . 0.0 108.24 178.136 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.22 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.482 -179.247 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.215 4.072 . . . . 0.0 103.564 174.001 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.198 0 O-C-N 127.658 3.099 . . . . 0.0 111.243 -177.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.53 37.67 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.354 174.696 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.548 2.165 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.875 -177.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.822 -178.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.46 21.2 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 175.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.27 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.207 2.817 . . . . 0.0 110.383 175.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.39 79.13 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.379 -0.826 . . . . 0.0 110.74 176.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.42 87.09 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.338 1.055 . . . . 0.0 111.547 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 125.017 1.448 . . . . 0.0 109.332 178.525 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.89 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.772 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.28 Favored 'General case' 0 C--O 1.278 2.593 0 CA-C-N 118.029 0.377 . . . . 0.0 111.227 176.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.28 86.93 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 120.403 -1.436 . . . . 0.0 110.818 176.039 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.55 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.67 79.06 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.537 2.589 . . . . 0.0 109.005 179.487 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.73 66.33 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.727 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.42 17.92 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 123.139 2.699 . . . . 0.0 113.965 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.021 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.567 0 C-N-CA 123.186 2.591 . . . . 0.0 110.933 178.242 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.76 Favored 'Trans proline' 0 C--O 1.263 1.73 0 C-N-CA 120.67 0.914 . . . . 0.0 113.432 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.969 -1.707 . . . . 0.0 112.204 -177.455 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.43 28.87 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.448 -1.407 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 124.32 2.01 . . . . 0.0 115.681 -177.691 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.91 23.88 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.151 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.404 1.002 . . . . 0.0 109.987 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 O-C-N 125.174 1.546 . . . . 0.0 111.872 -177.46 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.74 19.0 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.97 19.46 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.265 -2.243 . . . . 0.0 110.782 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.406 2.908 . . . . 0.0 117.515 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.72 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.594 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.512 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.704 -1.141 . . . . 0.0 110.049 -175.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 140.02 36.66 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 125.113 1.508 . . . . 0.0 109.964 -177.751 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.22 30.17 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.965 -1.903 . . . . 0.0 108.035 176.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.178 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.131 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.186 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.467 1.127 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.942 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.31 18.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.554 1.979 . . . . 0.0 111.182 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.14 -2.362 . . . . 0.0 106.175 175.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.091 2.12 . . . . 0.0 109.476 -176.784 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -54.77 143.0 26.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 123.222 1.487 . . . . 0.0 109.237 -176.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.19 10.64 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.455 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.54 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.72 52.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.005 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.65 19.11 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.735 174.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.409 2.943 . . . . 0.0 105.866 177.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.634 -1.174 . . . . 0.0 111.505 176.54 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.078 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.159 0.504 . . . . 0.0 109.829 178.451 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 136.04 37.03 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.297 0 CA-C-O 113.425 -3.178 . . . . 0.0 105.513 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.946 2.654 . . . . 0.0 108.932 178.348 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.427 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.635 1 O-C-N 130.456 4.848 . . . . 0.0 108.767 179.581 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.507 175.836 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.47 41.18 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.44 4.212 . . . . 0.0 108.09 -178.166 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.856 -1.069 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.99 49.84 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.016 0.822 . . . . 0.0 112.567 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.96 30.33 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.781 -2.368 . . . . 0.0 112.016 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.611 0 O-C-N 120.126 -1.609 . . . . 0.0 116.163 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.41 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 175.054 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.74 55.31 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 126.636 2.46 . . . . 0.0 106.019 176.121 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.043 . . . . 0.0 109.062 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.75 36.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.261 -1.776 . . . . 0.0 108.226 178.147 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.347 -2.263 . . . . 0.0 108.476 -179.213 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.192 4.057 . . . . 0.0 103.622 173.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.717 3.135 . . . . 0.0 111.231 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.44 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.581 2.187 . . . . 0.0 111.919 177.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.15 59.13 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.876 -177.497 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.55 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.323 -1.751 . . . . 0.0 109.903 -179.063 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 175.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.191 2.807 . . . . 0.0 110.364 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.43 78.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 176.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.51 86.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.323 1.049 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 125.049 1.468 . . . . 0.0 109.288 178.509 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.96 83.92 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.98 87.07 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-N 118.015 0.37 . . . . 0.0 111.269 176.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.35 87.2 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 120.346 -1.471 . . . . 0.0 110.782 175.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.48 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.63 79.21 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 125.541 2.591 . . . . 0.0 109.007 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.754 179.127 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.668 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -175.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.126 2.694 . . . . 0.0 113.971 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.46 90.06 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.877 2.311 . . . . 0.0 118.877 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.244 0.784 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.038 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.91 79.56 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.173 2.582 . . . . 0.0 110.923 178.212 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.675 0 O-C-N 122.878 0.936 . . . . 0.0 113.426 -179.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.213 -177.429 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.546 -1.346 . . . . 0.0 112.013 178.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 124.305 2.002 . . . . 0.0 115.609 -177.649 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.97 24.01 Favored 'General case' 0 C--O 1.295 3.482 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.484 1.038 . . . . 0.0 109.978 -177.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.18 1.55 . . . . 0.0 111.892 -177.489 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.93 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.31 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.761 177.403 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.384 2.897 . . . . 0.0 117.519 -179.482 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.59 46.44 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.771 -2.678 . . . . 0.0 103.771 174.574 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.034 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.03 36.65 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.005 1.44 . . . . 0.0 109.966 -177.722 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.23 30.36 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.631 3.567 . . . . 0.0 120.631 -175.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.27 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 -177.311 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 119.985 -1.891 . . . . 0.0 108.025 176.49 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.16 79.22 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.166 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.64 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.161 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.53 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.455 1.121 . . . . 0.0 110.686 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.71 51.34 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.686 -1.15 . . . . 0.0 112.996 179.258 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.4 18.53 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.563 1.983 . . . . 0.0 111.192 179.808 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.34 30.18 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-O 115.118 -2.372 . . . . 0.0 106.134 175.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 126.148 2.155 . . . . 0.0 109.544 -176.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -54.78 143.06 26.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.216 1.484 . . . . 0.0 109.252 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.473 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.52 34.58 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.7 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.59 19.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.729 -2.558 . . . . 0.0 105.734 175.017 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.72 46.49 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.398 2.936 . . . . 0.0 105.855 177.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.86 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.537 176.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.537 -2.764 . . . . 0.0 103.537 175.191 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.181 0.515 . . . . 0.0 109.827 178.442 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.61 37.61 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.283 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.489 -179.607 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.3 31.71 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 126.928 2.642 . . . . 0.0 108.906 178.282 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.19 163.01 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.367 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.14 49.53 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.469 4.856 . . . . 0.0 108.762 179.561 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.541 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.368 4.168 . . . . 0.0 108.057 -178.153 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.7 8.41 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.829 -1.081 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.42 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.023 0.827 . . . . 0.0 112.617 -177.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.153 0 C-N-CA 115.804 -2.358 . . . . 0.0 112.009 179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.43 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.126 -1.609 . . . . 0.0 116.089 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.591 2.432 . . . . 0.0 105.992 176.176 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.586 3.053 . . . . 0.0 109.05 179.663 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.296 -1.762 . . . . 0.0 108.242 178.134 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.09 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.355 -2.26 . . . . 0.0 108.452 -179.174 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.23 44.47 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.186 4.054 . . . . 0.0 103.618 173.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.59 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.678 3.111 . . . . 0.0 111.223 -177.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.89 144.51 37.54 Favored Pre-proline 0 C--N 1.314 -0.973 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.331 174.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.49 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 122.56 2.174 . . . . 0.0 111.916 177.721 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.925 -177.543 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.51 47.47 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.873 -179.014 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.41 21.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.727 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.27 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.129 2.768 . . . . 0.0 110.41 175.751 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.5 79.08 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.865 . . . . 0.0 110.751 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.44 -44.44 87.31 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.314 1.046 . . . . 0.0 111.5 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.43 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.039 1.462 . . . . 0.0 109.319 178.503 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.97 83.74 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.751 -179.712 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.98 86.98 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 117.969 0.349 . . . . 0.0 111.237 176.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.28 86.95 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 120.341 -1.474 . . . . 0.0 110.804 176.029 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 125.498 2.57 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.74 66.59 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.709 179.142 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.692 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 -175.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.133 2.697 . . . . 0.0 113.954 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.4 90.1 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.521 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.86 83.22 Favored Pre-proline 0 C--O 1.243 0.728 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.003 179.714 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.87 79.12 Favored 'Trans proline' 0 C--O 1.259 1.557 0 C-N-CA 123.126 2.55 . . . . 0.0 110.933 178.214 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.63 Favored 'Trans proline' 0 C--O 1.261 1.668 0 C-N-CA 120.693 0.929 . . . . 0.0 113.433 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.62 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.957 -1.714 . . . . 0.0 112.217 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.47 28.87 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.527 -1.358 . . . . 0.0 112.005 178.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.311 2.005 . . . . 0.0 115.633 -177.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.95 23.96 Favored 'General case' 0 C--O 1.296 3.528 0 N-CA-C 104.872 -2.269 . . . . 0.0 104.872 172.133 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.456 1.025 . . . . 0.0 110.036 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.132 1.52 . . . . 0.0 111.867 -177.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.7 18.9 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.276 -2.238 . . . . 0.0 110.773 177.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.11 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 128.329 2.871 . . . . 0.0 117.486 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.69 46.3 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.26 34.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 174.521 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.36 37.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.015 -175.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.7 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.01 1.444 . . . . 0.0 109.986 -177.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.17 29.98 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.711 3.596 . . . . 0.0 120.711 -175.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.8 85.3 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.068 1.187 . . . . 0.0 116.068 -177.339 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.55 17.01 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.025 -1.868 . . . . 0.0 107.998 176.49 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.63 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.16 79.17 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.155 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.182 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.55 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.432 1.11 . . . . 0.0 110.698 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.994 179.294 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.33 18.41 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.568 1.986 . . . . 0.0 111.237 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.158 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 126.126 2.141 . . . . 0.0 109.512 -176.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 39.7 ttmt -54.81 143.09 26.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.204 1.478 . . . . 0.0 109.245 -176.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.22 10.68 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.003 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.462 2.976 . . . . 0.0 105.875 177.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.533 176.581 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.94 28.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 175.146 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.152 0.501 . . . . 0.0 109.851 178.421 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.01 41.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.339 -3.22 . . . . 0.0 105.523 -178.697 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.957 2.66 . . . . 0.0 108.95 178.282 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.376 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.17 49.51 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.5 4.875 . . . . 0.0 108.781 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.438 -3.172 . . . . 0.0 105.529 175.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.21 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 129.382 4.176 . . . . 0.0 108.011 -178.131 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -7.01 49.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.036 0.835 . . . . 0.0 112.607 -177.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.846 -2.342 . . . . 0.0 111.987 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.52 80.26 Favored Glycine 0 C--N 1.297 -1.586 0 O-C-N 120.127 -1.608 . . . . 0.0 116.166 179.764 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.1 34.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 175.001 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.634 2.459 . . . . 0.0 106.05 176.136 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.01 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 127.637 3.086 . . . . 0.0 109.027 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.227 178.135 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.97 44.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.447 -179.169 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.192 4.058 . . . . 0.0 103.616 173.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.62 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.669 3.106 . . . . 0.0 111.231 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.47 37.58 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.131 -2.304 . . . . 0.0 106.295 174.714 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.85 -24.47 38.75 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.549 2.166 . . . . 0.0 111.93 177.72 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.897 -179.04 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.4 21.25 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.3 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.164 2.79 . . . . 0.0 110.357 175.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.39 78.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.342 -0.849 . . . . 0.0 110.739 177.014 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.326 1.05 . . . . 0.0 111.493 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.49 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.068 1.48 . . . . 0.0 109.347 178.514 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.74 -38.01 83.71 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.99 86.97 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.005 0.366 . . . . 0.0 111.183 176.9 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.29 86.97 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.409 -1.432 . . . . 0.0 110.833 176.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.46 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.56 79.48 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.573 2.606 . . . . 0.0 109.056 179.417 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.75 66.47 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.74 179.127 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.45 17.96 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 -175.676 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.27 8.1 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.105 2.684 . . . . 0.0 113.975 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.306 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.543 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.9 79.4 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.159 2.573 . . . . 0.0 110.903 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.14 92.63 Favored 'Trans proline' 0 C--O 1.262 1.683 0 C-N-CA 120.692 0.928 . . . . 0.0 113.44 -179.388 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 119.986 -1.696 . . . . 0.0 112.201 -177.472 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.79 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.522 -1.361 . . . . 0.0 112.06 178.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.319 2.009 . . . . 0.0 115.584 -177.62 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.91 23.86 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.11 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.95 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 119.465 1.029 . . . . 0.0 109.961 -177.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 O-C-N 125.144 1.527 . . . . 0.0 111.894 -177.468 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.67 18.98 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.477 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.782 177.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.341 2.877 . . . . 0.0 117.474 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.535 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.017 -175.88 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 125.059 1.475 . . . . 0.0 109.955 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.18 30.43 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.97 85.17 Favored Glycine 0 CA--C 1.492 -1.387 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.59 17.07 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 119.999 -1.883 . . . . 0.0 108.005 176.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.64 11.61 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.112 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.21 79.37 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.132 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.152 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.24 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.505 1.145 . . . . 0.0 110.739 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.69 51.43 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.979 179.259 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.6 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.534 1.97 . . . . 0.0 111.189 179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.153 -2.356 . . . . 0.0 106.211 175.777 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.047 2.092 . . . . 0.0 109.545 -176.851 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.438 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.73 143.0 26.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.175 1.464 . . . . 0.0 109.281 -176.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.62 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.489 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.04 159.54 34.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 174.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.73 52.22 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.63 19.12 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.714 174.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.72 46.5 Favored 'General case' 0 C--N 1.286 -2.157 0 O-C-N 127.406 2.941 . . . . 0.0 105.891 177.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.827 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.509 176.584 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 175.142 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.134 0.493 . . . . 0.0 109.838 178.455 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.91 34.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.243 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.468 -176.338 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 126.985 2.678 . . . . 0.0 108.92 178.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.38 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.446 4.841 . . . . 0.0 108.794 179.585 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.15 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.537 175.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.48 41.19 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.052 -178.178 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.75 8.39 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.68 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.068 0.855 . . . . 0.0 112.568 -177.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.975 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.46 80.33 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.122 -1.611 . . . . 0.0 116.136 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 174.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.586 2.429 . . . . 0.0 105.998 176.167 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 127.555 3.034 . . . . 0.0 109.048 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.77 36.6 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.209 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.381 -2.247 . . . . 0.0 108.413 -179.166 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.026 1 O-C-N 129.251 4.094 . . . . 0.0 103.577 173.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 O-C-N 127.706 3.129 . . . . 0.0 111.261 -177.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.52 37.74 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 112.194 -2.276 . . . . 0.0 106.327 174.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.46 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 122.522 2.148 . . . . 0.0 111.954 177.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.17 59.13 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.53 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.861 -179.048 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.4 21.19 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 175.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.24 77.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.168 2.792 . . . . 0.0 110.362 175.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.47 79.22 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.406 -0.809 . . . . 0.0 110.731 176.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.06 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 124.342 1.057 . . . . 0.0 111.507 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.28 -46.5 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.016 1.448 . . . . 0.0 109.282 178.513 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.73 -38.0 83.64 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.2 Favored 'General case' 0 C--O 1.279 2.623 0 CA-C-N 117.965 0.348 . . . . 0.0 111.215 176.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.38 87.25 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.435 -1.415 . . . . 0.0 110.861 175.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.879 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.34 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.511 2.577 . . . . 0.0 109.011 179.46 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.7 66.53 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.705 -1.588 . . . . 0.0 111.735 179.104 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 123.138 2.699 . . . . 0.0 113.957 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.37 90.11 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.873 2.309 . . . . 0.0 118.873 176.567 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.741 0 C-N-CA 118.835 -1.146 . . . . 0.0 111.005 179.678 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.92 79.48 Favored 'Trans proline' 0 C--O 1.259 1.558 0 C-N-CA 123.155 2.57 . . . . 0.0 110.935 178.183 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.262 1.708 0 C-N-CA 120.699 0.933 . . . . 0.0 113.422 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.59 63.64 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 119.931 -1.731 . . . . 0.0 112.22 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.45 28.93 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 120.505 -1.372 . . . . 0.0 112.084 178.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.313 2.006 . . . . 0.0 115.636 -177.656 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.92 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 172.109 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.465 1.03 . . . . 0.0 109.986 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 O-C-N 125.105 1.503 . . . . 0.0 111.892 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.68 18.87 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.03 19.25 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.239 -2.255 . . . . 0.0 110.779 177.346 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 61.0 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.318 2.866 . . . . 0.0 117.529 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.725 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 174.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.028 -175.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.91 139.99 36.81 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 125.111 1.507 . . . . 0.0 109.977 -177.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.12 Favored 'General case' 0 C--O 1.266 1.926 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.95 85.16 Favored Glycine 0 CA--C 1.492 -1.381 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -177.341 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 119.997 -1.884 . . . . 0.0 108.015 176.538 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.089 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.34 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.22 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.56 70.73 Favored 'General case' 0 C--O 1.269 2.103 0 C-N-CA 117.295 -1.762 . . . . 0.0 112.134 -179.473 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.33 70.6 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.453 1.121 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.708 -1.139 . . . . 0.0 112.993 179.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.36 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.548 1.976 . . . . 0.0 111.229 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.39 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.026 0 CA-C-O 115.112 -2.375 . . . . 0.0 106.176 175.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.099 2.124 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 64.1 pttt -54.74 143.02 26.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.224 1.488 . . . . 0.0 109.255 -176.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.07 10.59 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 179.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.12 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 175.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.723 175.012 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.79 46.38 Favored 'General case' 0 C--N 1.285 -2.199 0 O-C-N 127.446 2.966 . . . . 0.0 105.904 177.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.11 115.83 30.86 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.545 176.612 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.97 28.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.176 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.402 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 141.81 29.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.264 0 CA-C-O 113.423 -3.179 . . . . 0.0 105.479 -179.629 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.968 2.667 . . . . 0.0 108.917 178.343 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.408 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.483 4.864 . . . . 0.0 108.802 179.545 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.521 175.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.47 41.19 Favored 'General case' 0 N--CA 1.504 2.233 1 O-C-N 129.368 4.168 . . . . 0.0 108.089 -178.178 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.354 179.915 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.66 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.019 0.825 . . . . 0.0 112.595 -177.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.27 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 115.815 -2.354 . . . . 0.0 112.03 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.36 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.069 -1.644 . . . . 0.0 116.114 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.43 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.73 55.34 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.583 2.427 . . . . 0.0 106.037 176.135 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 127.572 3.045 . . . . 0.0 109.052 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.77 36.67 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.228 -1.789 . . . . 0.0 108.253 178.09 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.01 44.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.335 -2.269 . . . . 0.0 108.428 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.56 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.221 4.076 . . . . 0.0 103.554 173.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 O-C-N 127.669 3.106 . . . . 0.0 111.188 -177.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.321 174.699 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.4 39.12 Favored 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 122.58 2.187 . . . . 0.0 111.956 177.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.15 59.15 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.52 47.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.843 -179.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.43 21.23 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.23 2.831 . . . . 0.0 110.339 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.46 79.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.383 -0.823 . . . . 0.0 110.754 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.04 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.262 1.025 . . . . 0.0 111.533 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.46 89.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 125.065 1.478 . . . . 0.0 109.288 178.504 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.78 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.99 0.359 . . . . 0.0 111.226 176.879 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 120.377 -1.452 . . . . 0.0 110.774 176.019 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.42 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 125.508 2.575 . . . . 0.0 109.008 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.53 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.43 17.93 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.629 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 123.112 2.687 . . . . 0.0 113.957 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.32 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.9 83.45 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.019 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.93 79.65 Favored 'Trans proline' 0 C--O 1.26 1.594 0 C-N-CA 123.139 2.559 . . . . 0.0 110.933 178.227 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.65 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.863 0.928 . . . . 0.0 113.427 -179.358 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 119.925 -1.735 . . . . 0.0 112.251 -177.46 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.79 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.474 -1.392 . . . . 0.0 112.027 178.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.7 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.323 2.011 . . . . 0.0 115.648 -177.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.95 23.93 Favored 'General case' 0 C--O 1.296 3.505 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.439 1.018 . . . . 0.0 109.952 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 125.183 1.552 . . . . 0.0 111.856 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.513 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.807 177.372 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.51 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.364 2.888 . . . . 0.0 117.496 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.736 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 103.792 -2.67 . . . . 0.0 103.792 174.538 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.35 37.46 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.02 -175.863 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.01 36.68 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.13 1.519 . . . . 0.0 109.973 -177.722 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.833 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.492 -1.393 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 -177.343 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.55 17.05 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 119.941 -1.917 . . . . 0.0 107.975 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.56 11.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.13 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.23 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.171 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.298 -1.761 . . . . 0.0 112.188 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.28 70.59 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.492 1.139 . . . . 0.0 110.718 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.955 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.41 18.54 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 121.58 1.991 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.72 116.45 30.4 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.103 -2.379 . . . . 0.0 106.164 175.858 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.129 2.143 . . . . 0.0 109.531 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -54.74 143.0 26.67 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.233 1.492 . . . . 0.0 109.282 -176.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.777 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.15 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.278 -0.867 . . . . 0.0 108.665 175.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.23 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 114.686 -2.578 . . . . 0.0 105.702 175.02 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.73 46.52 Favored 'General case' 0 C--N 1.285 -2.216 0 O-C-N 127.455 2.972 . . . . 0.0 105.856 177.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.88 30.95 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.678 -1.154 . . . . 0.0 111.519 176.576 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.88 28.79 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.122 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.198 0.523 . . . . 0.0 109.821 178.435 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.61 34.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.285 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.519 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.978 2.673 . . . . 0.0 108.93 178.319 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.397 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.472 4.857 . . . . 0.0 108.79 179.555 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.24 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 113.37 -3.205 . . . . 0.0 105.522 175.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.19 127.53 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.431 4.207 . . . . 0.0 108.028 -178.162 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.92 49.49 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.02 0.825 . . . . 0.0 112.61 -177.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.9 30.51 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.792 -2.363 . . . . 0.0 111.996 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.126 -1.609 . . . . 0.0 116.146 179.725 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.03 34.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 175.047 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.78 55.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.576 2.422 . . . . 0.0 106.005 176.182 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.95 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 127.559 3.037 . . . . 0.0 109.063 179.626 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.85 36.54 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 117.285 -1.766 . . . . 0.0 108.216 178.116 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.08 44.23 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.446 -179.192 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.91 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.993 1 O-C-N 129.185 4.053 . . . . 0.0 103.575 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.655 3.097 . . . . 0.0 111.235 -177.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.47 37.54 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.359 174.721 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.49 39.17 Favored 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 122.564 2.176 . . . . 0.0 111.933 177.715 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.11 59.11 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.907 -177.505 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.1 148.52 47.39 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.376 -1.73 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.726 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.179 2.799 . . . . 0.0 110.373 175.765 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.47 79.0 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.4 -0.812 . . . . 0.0 110.707 176.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.44 87.01 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 124.323 1.049 . . . . 0.0 111.511 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.056 1.473 . . . . 0.0 109.305 178.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.99 84.01 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.28 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 118.027 0.376 . . . . 0.0 111.217 176.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.1 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.396 -1.44 . . . . 0.0 110.852 175.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.48 77.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.539 2.59 . . . . 0.0 108.991 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.767 179.118 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.629 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.41 8.09 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.121 2.692 . . . . 0.0 113.975 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.41 90.08 Favored Glycine 0 CA--C 1.478 -2.247 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.026 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.176 2.584 . . . . 0.0 110.904 178.198 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.77 Favored 'Trans proline' 0 C--O 1.262 1.686 0 C-N-CA 120.683 0.922 . . . . 0.0 113.399 -179.365 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 119.99 -1.694 . . . . 0.0 112.211 -177.436 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.92 -10.41 28.84 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.559 -1.338 . . . . 0.0 112.001 178.695 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 124.289 1.995 . . . . 0.0 115.675 -177.678 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.94 23.95 Favored 'General case' 0 C--O 1.297 3.573 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 172.137 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.94 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.479 1.036 . . . . 0.0 109.994 -177.524 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.184 1.552 . . . . 0.0 111.892 -177.471 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 177.536 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.0 19.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.771 177.367 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.64 61.0 Favored Glycine 0 N--CA 1.433 -1.563 0 C-N-CA 128.333 2.873 . . . . 0.0 117.509 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.6 46.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.699 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.37 37.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 117.749 -1.12 . . . . 0.0 110.021 -175.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.01 36.71 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 125.047 1.467 . . . . 0.0 109.982 -177.79 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.55 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.82 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.27 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 116.079 1.192 . . . . 0.0 116.079 -177.315 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.03 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 119.984 -1.892 . . . . 0.0 107.997 176.514 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.57 11.65 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.1 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.26 79.29 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.156 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.048 0 C-N-CA 117.306 -1.758 . . . . 0.0 112.147 -179.517 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.454 1.121 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.61 51.63 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.014 179.268 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.518 1.963 . . . . 0.0 111.178 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.41 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.164 175.822 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.079 2.112 . . . . 0.0 109.528 -176.868 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.44 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 17.1 pttp -54.75 143.07 26.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.211 1.481 . . . . 0.0 109.255 -176.891 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.49 34.59 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.797 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.58 19.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.714 175.045 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.36 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.412 2.945 . . . . 0.0 105.853 177.956 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.783 0 CA-C-O 117.657 -1.163 . . . . 0.0 111.506 176.574 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 175.115 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.216 0.532 . . . . 0.0 109.783 178.472 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.16 38.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.288 0 CA-C-O 113.375 -3.203 . . . . 0.0 105.526 179.385 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 126.954 2.659 . . . . 0.0 108.931 178.312 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.382 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.432 4.833 . . . . 0.0 108.777 179.566 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.18 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 113.349 -3.215 . . . . 0.0 105.485 175.806 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.48 41.18 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.476 4.235 . . . . 0.0 108.076 -178.195 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.94 49.53 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.978 0.799 . . . . 0.0 112.611 -177.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.06 30.04 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.829 -2.348 . . . . 0.0 111.974 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.149 -1.594 . . . . 0.0 116.137 179.745 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.03 34.45 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.56 2.413 . . . . 0.0 106.009 176.143 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.04 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 127.571 3.045 . . . . 0.0 109.05 179.677 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.213 178.139 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.425 -179.219 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.23 44.52 Favored 'General case' 0 N--CA 1.5 2.029 1 O-C-N 129.256 4.097 . . . . 0.0 103.558 174.003 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.681 3.113 . . . . 0.0 111.219 -177.879 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.15 -2.295 . . . . 0.0 106.323 174.732 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.48 39.36 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 122.518 2.145 . . . . 0.0 112.007 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.872 -177.519 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.54 47.38 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.85 -179.058 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.24 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 O-C-N 127.157 2.786 . . . . 0.0 110.365 175.799 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.45 79.21 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.41 -0.807 . . . . 0.0 110.712 177.013 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.07 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.351 1.06 . . . . 0.0 111.484 -179.641 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.46 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.073 1.483 . . . . 0.0 109.276 178.561 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -37.99 83.68 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.601 0 CA-C-N 118.011 0.369 . . . . 0.0 111.243 176.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.32 87.06 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.429 -1.419 . . . . 0.0 110.794 176.019 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.5 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.57 79.43 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.465 2.555 . . . . 0.0 109.012 179.458 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.75 66.65 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.765 179.109 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.41 17.99 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.629 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.121 2.691 . . . . 0.0 113.917 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.41 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.869 2.308 . . . . 0.0 118.869 176.546 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.005 179.718 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.185 2.59 . . . . 0.0 110.895 178.221 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.716 0 C-N-CA 120.673 0.915 . . . . 0.0 113.421 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.96 -1.713 . . . . 0.0 112.217 -177.461 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.49 -1.381 . . . . 0.0 112.045 178.671 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.68 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.349 2.023 . . . . 0.0 115.633 -177.71 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.89 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.087 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.459 1.027 . . . . 0.0 109.973 -177.543 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.139 1.525 . . . . 0.0 111.867 -177.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.95 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.516 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.194 -2.275 . . . . 0.0 110.777 177.394 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.38 2.895 . . . . 0.0 117.504 -179.471 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.63 46.37 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.694 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 174.601 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.015 -175.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.04 36.68 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.019 1.449 . . . . 0.0 109.968 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.98 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 120.735 3.605 . . . . 0.0 120.735 -175.834 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 116.147 1.219 . . . . 0.0 116.147 -177.414 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.6 16.99 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 120.023 -1.869 . . . . 0.0 107.991 176.497 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.1 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.28 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.196 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.181 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.31 70.43 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.435 1.112 . . . . 0.0 110.733 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.67 51.48 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 117.676 -1.155 . . . . 0.0 113.006 179.299 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.37 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 121.544 1.974 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.18 -2.343 . . . . 0.0 106.185 175.788 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.56 8.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.043 2.09 . . . . 0.0 109.5 -176.834 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.432 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 14.2 mttp -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.195 1.474 . . . . 0.0 109.306 -176.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.14 10.59 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.814 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.972 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.74 174.985 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.285 -2.233 0 O-C-N 127.391 2.932 . . . . 0.0 105.882 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.86 30.92 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.532 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.97 28.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 175.165 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.204 0.526 . . . . 0.0 109.845 178.433 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.12 36.93 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.249 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.472 178.523 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 126.991 2.682 . . . . 0.0 108.938 178.355 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.433 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.15 49.54 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.477 4.861 . . . . 0.0 108.784 179.555 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.427 -3.178 . . . . 0.0 105.519 175.825 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.24 Favored 'General case' 0 N--CA 1.505 2.32 1 O-C-N 129.406 4.191 . . . . 0.0 108.043 -178.145 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.91 49.35 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.062 0.851 . . . . 0.0 112.582 -177.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.828 -2.349 . . . . 0.0 112.023 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.45 80.4 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.106 -1.621 . . . . 0.0 116.114 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.75 55.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 126.594 2.434 . . . . 0.0 106.037 176.156 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.43 141.99 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.558 3.036 . . . . 0.0 109.019 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.58 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.211 -1.796 . . . . 0.0 108.215 178.134 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 153.98 44.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.448 -179.214 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.166 4.041 . . . . 0.0 103.577 174.032 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.698 3.124 . . . . 0.0 111.205 -177.869 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.316 174.656 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.45 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.534 2.156 . . . . 0.0 111.94 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.862 -177.515 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.49 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.876 -179.016 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.39 21.29 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.696 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 127.178 2.799 . . . . 0.0 110.404 175.752 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.43 79.02 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.318 -0.864 . . . . 0.0 110.729 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.91 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.93 83.66 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.76 -179.741 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.34 Favored 'General case' 0 C--O 1.279 2.625 0 CA-C-N 117.977 0.353 . . . . 0.0 111.206 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.26 86.88 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.342 -1.474 . . . . 0.0 110.812 176.024 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.51 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.897 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.13 -48.64 79.2 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.508 2.575 . . . . 0.0 109.002 179.414 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.308 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.76 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.41 17.93 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -175.655 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.36 8.12 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.152 2.706 . . . . 0.0 113.987 179.821 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.43 90.11 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.511 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.009 179.676 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.06 137.0 79.97 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.171 2.581 . . . . 0.0 110.909 178.193 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.73 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.718 0.945 . . . . 0.0 113.393 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.807 0 O-C-N 119.938 -1.726 . . . . 0.0 112.189 -177.432 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.529 -1.357 . . . . 0.0 112.049 178.664 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 124.306 2.003 . . . . 0.0 115.621 -177.644 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.84 -2.282 . . . . 0.0 104.84 172.133 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.08 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 119.466 1.03 . . . . 0.0 109.974 -177.576 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.131 1.519 . . . . 0.0 111.897 -177.545 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.69 18.97 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.516 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.97 19.44 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.768 177.4 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.58 61.19 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 128.291 2.853 . . . . 0.0 117.457 -179.531 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 177.673 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.569 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.44 37.49 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.004 -175.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 139.94 36.83 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.708 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.2 29.52 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 -175.834 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.87 85.26 Favored Glycine 0 CA--C 1.492 -1.356 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 -177.279 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 120.028 -1.866 . . . . 0.0 107.99 176.509 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.154 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.197 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.92 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.151 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.29 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.454 1.121 . . . . 0.0 110.764 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.44 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.991 179.259 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.41 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 121.526 1.966 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.035 0 CA-C-O 115.074 -2.394 . . . . 0.0 106.18 175.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.5 8.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.12 2.138 . . . . 0.0 109.516 -176.864 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 143.05 26.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.215 1.483 . . . . 0.0 109.292 -176.924 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.494 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.52 34.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.75 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.74 52.26 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.926 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.713 -2.565 . . . . 0.0 105.712 175.046 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.411 2.944 . . . . 0.0 105.907 177.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.523 176.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.149 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.165 0.507 . . . . 0.0 109.87 178.424 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.92 34.43 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.305 0 CA-C-O 113.369 -3.205 . . . . 0.0 105.548 -179.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.908 2.63 . . . . 0.0 108.912 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 173.375 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.19 49.49 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.449 4.843 . . . . 0.0 108.733 179.614 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 113.368 -3.206 . . . . 0.0 105.468 175.837 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.21 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.458 4.224 . . . . 0.0 108.081 -178.192 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.38 -6.98 49.69 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.077 0.86 . . . . 0.0 112.598 -177.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 115.838 -2.345 . . . . 0.0 112.004 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.117 -1.614 . . . . 0.0 116.138 179.759 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 174.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.659 2.474 . . . . 0.0 106.063 176.177 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.624 3.077 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.83 36.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.228 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.458 -179.191 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.18 44.33 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.229 4.08 . . . . 0.0 103.559 173.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.63 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.678 3.111 . . . . 0.0 111.184 -177.87 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.54 37.73 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.363 174.655 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.39 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.503 2.135 . . . . 0.0 111.984 177.752 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.14 59.15 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.897 -177.509 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.45 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 117.348 -1.741 . . . . 0.0 109.826 -179.007 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.4 21.25 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.716 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 127.201 2.813 . . . . 0.0 110.386 175.795 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.43 79.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.352 -0.842 . . . . 0.0 110.737 176.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.47 86.99 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 124.374 1.069 . . . . 0.0 111.507 -179.626 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.38 -46.45 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.062 1.476 . . . . 0.0 109.277 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -38.03 83.81 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.21 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-N 118.002 0.364 . . . . 0.0 111.186 176.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.438 -1.414 . . . . 0.0 110.833 176.021 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.4 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.58 79.27 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.514 2.578 . . . . 0.0 109.043 179.468 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.74 66.58 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.707 179.132 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.36 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -175.639 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.33 8.09 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.094 2.679 . . . . 0.0 113.95 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.11 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.494 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.86 83.25 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.995 179.747 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.139 2.559 . . . . 0.0 110.922 178.21 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.71 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 122.879 0.936 . . . . 0.0 113.376 -179.32 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.62 63.65 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.98 -1.7 . . . . 0.0 112.205 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.46 29.0 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.507 -1.371 . . . . 0.0 112.05 178.711 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 124.311 2.005 . . . . 0.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.126 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.427 1.012 . . . . 0.0 110.0 -177.57 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.128 1.517 . . . . 0.0 111.926 -177.531 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.69 18.9 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.505 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.97 19.54 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.814 177.39 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.51 61.09 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.378 2.894 . . . . 0.0 117.523 -179.444 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.7 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 174.56 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.36 37.49 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.734 -1.126 . . . . 0.0 110.031 -175.895 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.0 36.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.047 1.467 . . . . 0.0 109.977 -177.747 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.25 29.29 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.737 3.606 . . . . 0.0 120.737 -175.788 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.491 -1.42 0 N-CA-C 116.085 1.194 . . . . 0.0 116.085 -177.362 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.53 17.09 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.003 -1.881 . . . . 0.0 107.969 176.528 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.54 11.68 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.121 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.136 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.16 -179.481 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.33 70.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.457 1.123 . . . . 0.0 110.717 179.791 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.42 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.967 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.98 45.28 18.34 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 121.596 1.998 . . . . 0.0 111.159 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.37 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.126 -2.369 . . . . 0.0 106.105 175.867 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 126.087 2.117 . . . . 0.0 109.489 -176.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -54.75 143.04 26.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.231 1.491 . . . . 0.0 109.281 -176.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.63 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.787 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.76 52.31 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 114.668 -2.587 . . . . 0.0 105.717 175.01 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.44 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.448 2.968 . . . . 0.0 105.854 177.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.475 176.598 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.9 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.068 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.158 0.504 . . . . 0.0 109.848 178.473 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.28 33.91 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.503 -179.391 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.987 2.679 . . . . 0.0 108.952 178.305 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.691 173.394 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.471 4.857 . . . . 0.0 108.82 179.556 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 113.382 -3.199 . . . . 0.0 105.516 175.807 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.408 4.192 . . . . 0.0 108.08 -178.176 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.34 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.084 0.865 . . . . 0.0 112.576 -177.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 14.99 30.25 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.762 -2.375 . . . . 0.0 111.994 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.47 80.35 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.147 -1.595 . . . . 0.0 116.131 179.763 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.03 34.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 174.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.72 55.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.644 2.465 . . . . 0.0 106.03 176.155 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.623 3.077 . . . . 0.0 109.0 179.668 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.225 178.12 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.99 44.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.318 -2.277 . . . . 0.0 108.451 -179.186 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.18 44.37 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.265 4.103 . . . . 0.0 103.531 174.004 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.62 15.88 Favored 'Isoleucine or valine' 0 C--O 1.252 1.188 0 O-C-N 127.731 3.144 . . . . 0.0 111.218 -177.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.183 -2.281 . . . . 0.0 106.269 174.699 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.47 39.03 Favored 'Trans proline' 0 C--N 1.319 -0.982 0 C-N-CA 122.554 2.169 . . . . 0.0 111.961 177.687 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.15 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.918 -177.525 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.885 -179.056 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.42 21.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.702 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.21 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.213 2.821 . . . . 0.0 110.353 175.806 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.66 -40.39 79.24 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.342 -0.848 . . . . 0.0 110.753 176.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.58 -44.45 86.63 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 124.367 1.067 . . . . 0.0 111.565 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.44 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.061 1.475 . . . . 0.0 109.275 178.524 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.99 83.88 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.809 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.95 86.99 Favored 'General case' 0 C--O 1.279 2.63 0 CA-C-N 117.967 0.348 . . . . 0.0 111.214 176.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.396 -1.44 . . . . 0.0 110.789 176.027 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.6 79.26 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.534 2.588 . . . . 0.0 109.016 179.463 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.62 66.64 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.743 179.132 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.66 -24.39 17.9 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -175.634 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.32 8.09 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 123.178 2.717 . . . . 0.0 113.97 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.34 90.15 Favored Glycine 0 CA--C 1.477 -2.314 0 N-CA-C 118.871 2.309 . . . . 0.0 118.871 176.539 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.95 79.64 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.169 2.579 . . . . 0.0 110.906 178.251 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.262 1.685 0 O-C-N 122.857 0.925 . . . . 0.0 113.43 -179.331 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.59 63.64 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.956 -1.715 . . . . 0.0 112.249 -177.482 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.77 -10.55 28.83 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 120.459 -1.401 . . . . 0.0 112.023 178.692 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.76 34.78 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.338 2.018 . . . . 0.0 115.664 -177.66 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.94 23.91 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.142 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.489 1.04 . . . . 0.0 110.001 -177.595 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.83 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 O-C-N 125.159 1.537 . . . . 0.0 111.951 -177.522 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.542 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.97 19.39 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.775 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.58 61.21 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.398 2.904 . . . . 0.0 117.5 -179.497 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.66 46.35 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.703 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 174.601 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.011 -175.9 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.052 1.47 . . . . 0.0 109.967 -177.747 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.93 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.8 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.25 Favored Glycine 0 CA--C 1.491 -1.414 0 N-CA-C 116.095 1.198 . . . . 0.0 116.095 -177.323 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.57 17.0 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.969 -1.9 . . . . 0.0 107.969 176.554 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.129 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.178 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.58 70.73 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.289 -1.765 . . . . 0.0 112.18 -179.447 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.3 70.67 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.453 1.12 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.673 -1.156 . . . . 0.0 112.997 179.261 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.4 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.598 1.999 . . . . 0.0 111.166 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.39 30.29 Favored 'Isoleucine or valine' 0 C--O 1.269 2.082 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.165 175.818 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 126.127 2.142 . . . . 0.0 109.544 -176.917 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.242 1.496 . . . . 0.0 109.223 -176.853 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.13 10.61 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.889 2.552 . . . . 0.0 117.889 179.437 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 174.825 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.71 52.2 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.944 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.731 -2.557 . . . . 0.0 105.726 174.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.387 2.929 . . . . 0.0 105.89 177.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.795 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.526 176.588 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.17 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.162 0.506 . . . . 0.0 109.858 178.447 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.07 35.67 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.23 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.539 -178.937 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.685 . . . . 0.0 108.899 178.347 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 173.407 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.457 4.848 . . . . 0.0 108.77 179.585 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.515 175.81 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.47 41.23 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.411 4.195 . . . . 0.0 108.077 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.98 49.78 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.076 0.86 . . . . 0.0 112.584 -177.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.05 30.05 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 115.826 -2.349 . . . . 0.0 111.995 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.617 0 O-C-N 120.106 -1.621 . . . . 0.0 116.145 179.787 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 174.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.571 2.419 . . . . 0.0 106.05 176.144 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.579 3.05 . . . . 0.0 109.018 179.689 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.78 36.69 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.223 178.134 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.417 -179.204 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.179 4.049 . . . . 0.0 103.548 174.028 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.74 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.693 3.12 . . . . 0.0 111.2 -177.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.7 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.312 174.725 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.45 39.37 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.586 2.191 . . . . 0.0 111.904 177.713 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.15 59.16 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.897 -177.467 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.43 47.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.374 -1.73 . . . . 0.0 109.864 -179.05 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.729 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.245 2.841 . . . . 0.0 110.369 175.77 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.41 79.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.383 -0.823 . . . . 0.0 110.713 177.042 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.49 86.92 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.304 1.042 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.43 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.037 1.461 . . . . 0.0 109.345 178.484 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.802 -179.82 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.11 87.43 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.992 0.36 . . . . 0.0 111.184 176.926 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 120.384 -1.448 . . . . 0.0 110.826 175.982 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.45 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.62 79.19 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.524 2.583 . . . . 0.0 108.988 179.51 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.73 66.49 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.734 179.139 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.66 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.143 2.701 . . . . 0.0 114.003 179.782 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.883 2.313 . . . . 0.0 118.883 176.505 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.748 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.998 179.726 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.9 79.43 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.164 2.576 . . . . 0.0 110.929 178.178 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.14 92.73 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.858 0.925 . . . . 0.0 113.389 -179.373 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.264 1.822 0 O-C-N 119.955 -1.715 . . . . 0.0 112.164 -177.443 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.473 -1.392 . . . . 0.0 112.07 178.69 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.67 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.34 2.019 . . . . 0.0 115.615 -177.66 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.153 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.3 51.1 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.51 1.05 . . . . 0.0 109.987 -177.56 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.203 1.564 . . . . 0.0 111.877 -177.482 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.65 18.93 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.491 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.96 19.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.747 177.355 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.61 61.1 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.346 2.879 . . . . 0.0 117.449 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.691 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.538 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.32 37.43 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.021 -175.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 139.98 36.73 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.03 1.457 . . . . 0.0 109.933 -177.762 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.27 29.0 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.638 3.57 . . . . 0.0 120.638 -175.791 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.89 85.26 Favored Glycine 0 CA--C 1.491 -1.429 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -177.326 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 119.94 -1.917 . . . . 0.0 108.0 176.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.59 11.65 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.24 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.194 -179.464 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.58 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.487 1.137 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.61 51.56 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.986 179.272 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.43 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 121.571 1.987 . . . . 0.0 111.21 179.861 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.177 175.834 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 126.069 2.106 . . . . 0.0 109.522 -176.835 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 20.9 pttm -54.68 143.01 26.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.18 1.467 . . . . 0.0 109.242 -176.906 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.73 52.24 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.898 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.728 174.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.41 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.421 2.95 . . . . 0.0 105.894 177.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.524 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.9 28.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 175.114 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.197 0.522 . . . . 0.0 109.858 178.419 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.0 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.73 36.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.287 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.508 -175.852 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.21 31.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.928 2.642 . . . . 0.0 108.941 178.328 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.394 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.495 4.872 . . . . 0.0 108.769 179.574 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.433 -3.175 . . . . 0.0 105.489 175.79 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.48 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.381 4.176 . . . . 0.0 108.063 -178.169 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.18 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.017 0.823 . . . . 0.0 112.572 -177.953 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.778 -2.369 . . . . 0.0 112.015 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.34 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.072 -1.642 . . . . 0.0 116.088 179.742 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.587 2.429 . . . . 0.0 106.038 176.145 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.555 3.035 . . . . 0.0 109.039 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.237 178.144 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.22 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.375 -2.25 . . . . 0.0 108.461 -179.22 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.043 1 O-C-N 129.201 4.063 . . . . 0.0 103.527 174.009 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 O-C-N 127.687 3.117 . . . . 0.0 111.233 -177.957 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.362 174.658 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.26 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 122.578 2.185 . . . . 0.0 111.974 177.705 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.2 59.17 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.935 -177.52 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.841 -179.027 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.718 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 127.174 2.796 . . . . 0.0 110.393 175.776 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.401 -0.812 . . . . 0.0 110.745 176.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.01 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 124.343 1.057 . . . . 0.0 111.494 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.41 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.108 1.505 . . . . 0.0 109.318 178.525 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.77 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.759 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-N 118.022 0.373 . . . . 0.0 111.252 176.853 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.19 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.369 -1.457 . . . . 0.0 110.801 175.999 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.914 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.57 79.39 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.494 2.569 . . . . 0.0 109.015 179.445 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.68 66.59 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.671 -1.604 . . . . 0.0 111.721 179.149 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.48 17.95 Favored 'General case' 0 C--O 1.28 2.682 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.676 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 123.166 2.712 . . . . 0.0 113.956 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.37 90.1 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.906 2.322 . . . . 0.0 118.906 176.543 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.83 83.3 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.55 Favored 'Trans proline' 0 C--O 1.26 1.591 0 C-N-CA 123.167 2.578 . . . . 0.0 110.914 178.206 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.697 0.932 . . . . 0.0 113.46 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.967 -1.708 . . . . 0.0 112.201 -177.467 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.507 -1.371 . . . . 0.0 112.026 178.689 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.74 34.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 124.306 2.003 . . . . 0.0 115.663 -177.638 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.94 23.91 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 172.157 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.06 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.493 1.042 . . . . 0.0 109.992 -177.568 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.144 1.527 . . . . 0.0 111.924 -177.489 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.515 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.47 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.792 177.384 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.57 61.07 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 128.389 2.9 . . . . 0.0 117.499 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.724 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.509 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.007 -175.892 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.092 1.495 . . . . 0.0 109.963 -177.741 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.15 30.28 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.682 3.586 . . . . 0.0 120.682 -175.801 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.24 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.113 1.205 . . . . 0.0 116.113 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.52 17.05 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 120.029 -1.865 . . . . 0.0 107.987 176.512 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.112 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.18 79.12 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.163 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.6 70.75 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 117.314 -1.754 . . . . 0.0 112.124 -179.423 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.405 1.097 . . . . 0.0 110.699 179.768 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.42 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.983 179.286 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.3 18.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.569 1.986 . . . . 0.0 111.185 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.4 30.26 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.128 -2.367 . . . . 0.0 106.161 175.864 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.097 2.123 . . . . 0.0 109.555 -176.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.421 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 38.2 ttpt -54.73 142.99 26.64 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.207 1.479 . . . . 0.0 109.26 -176.932 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.09 10.58 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.927 2.566 . . . . 0.0 117.927 179.491 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.49 34.61 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.73 174.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.414 2.946 . . . . 0.0 105.862 177.919 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.489 176.56 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.084 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.235 0.54 . . . . 0.0 109.804 178.489 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.99 37.11 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.25 0 CA-C-O 113.394 -3.193 . . . . 0.0 105.492 179.028 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 126.991 2.682 . . . . 0.0 108.896 178.333 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 162.98 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.385 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.22 49.44 Favored 'General case' 0 N--CA 1.512 2.641 1 O-C-N 130.468 4.855 . . . . 0.0 108.789 179.58 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.49 175.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.48 41.22 Favored 'General case' 0 N--CA 1.505 2.276 1 O-C-N 129.416 4.197 . . . . 0.0 108.048 -178.173 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.75 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.071 0.857 . . . . 0.0 112.582 -177.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.834 -2.346 . . . . 0.0 112.041 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.137 -1.602 . . . . 0.0 116.126 179.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.002 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.82 55.37 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 126.588 2.43 . . . . 0.0 106.02 176.165 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.557 3.036 . . . . 0.0 109.071 179.609 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.278 -1.769 . . . . 0.0 108.201 178.129 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.39 -179.181 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.47 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.197 4.061 . . . . 0.0 103.597 173.963 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.7 15.69 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.619 3.075 . . . . 0.0 111.229 -177.869 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.35 174.645 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.46 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.545 2.163 . . . . 0.0 111.973 177.674 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.899 -177.507 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.54 47.47 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.329 -1.748 . . . . 0.0 109.904 -179.072 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.708 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 O-C-N 127.169 2.793 . . . . 0.0 110.351 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.2 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.382 -0.824 . . . . 0.0 110.707 177.021 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.93 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.339 1.056 . . . . 0.0 111.5 -179.6 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.086 1.491 . . . . 0.0 109.302 178.529 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.98 83.85 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.11 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-N 117.977 0.353 . . . . 0.0 111.21 176.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.28 86.95 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.367 -1.458 . . . . 0.0 110.833 175.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.44 77.38 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.55 79.5 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.019 179.486 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.64 66.68 Favored 'General case' 0 C--O 1.254 1.328 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.728 179.137 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.65 -24.38 17.91 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -175.702 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.142 2.701 . . . . 0.0 113.964 179.789 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.916 2.326 . . . . 0.0 118.916 176.561 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.29 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.029 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.147 2.565 . . . . 0.0 110.91 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.08 92.55 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.877 0.935 . . . . 0.0 113.427 -179.408 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.6 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.969 -1.707 . . . . 0.0 112.227 -177.413 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.51 28.77 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.502 -1.374 . . . . 0.0 112.032 178.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.325 2.012 . . . . 0.0 115.585 -177.575 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.87 23.83 Favored 'General case' 0 C--O 1.296 3.516 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.103 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.53 130.3 50.9 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.461 1.028 . . . . 0.0 109.971 -177.555 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.83 72.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 125.128 1.517 . . . . 0.0 111.878 -177.475 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.64 18.89 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.51 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 112.245 -2.252 . . . . 0.0 110.768 177.394 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.5 61.11 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.296 2.855 . . . . 0.0 117.553 -179.49 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.4 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.708 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.32 37.5 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.029 -175.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.061 1.476 . . . . 0.0 109.973 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.19 29.01 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.781 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.87 85.23 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.117 1.207 . . . . 0.0 116.117 -177.341 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.59 17.02 Favored 'General case' 0 C--O 1.249 1.079 0 O-C-N 119.983 -1.893 . . . . 0.0 108.029 176.463 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.59 11.65 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.17 79.21 Favored 'General case' 0 C--O 1.203 -1.39 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.165 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.331 -1.748 . . . . 0.0 112.164 -179.453 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.459 1.123 . . . . 0.0 110.759 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.997 179.254 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.34 18.61 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-N 121.538 1.972 . . . . 0.0 111.196 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.033 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.165 175.807 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.174 2.171 . . . . 0.0 109.506 -176.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -54.75 143.02 26.64 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.205 1.479 . . . . 0.0 109.242 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 179.45 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.788 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.71 52.24 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.923 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.66 19.1 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.721 -2.561 . . . . 0.0 105.706 174.995 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.45 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 127.398 2.936 . . . . 0.0 105.872 177.951 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.85 30.9 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.609 -1.186 . . . . 0.0 111.502 176.558 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.93 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.104 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.173 0.511 . . . . 0.0 109.875 178.393 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.9 38.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.236 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.517 -179.374 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.943 2.652 . . . . 0.0 108.941 178.279 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 173.361 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.667 1 O-C-N 130.436 4.835 . . . . 0.0 108.784 179.571 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.482 175.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.52 41.19 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.422 4.201 . . . . 0.0 108.039 -178.132 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.79 8.35 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.9 49.33 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.053 0.846 . . . . 0.0 112.601 -177.952 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 115.838 -2.345 . . . . 0.0 111.972 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.38 80.38 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.097 -1.627 . . . . 0.0 116.113 179.732 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.11 34.33 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 174.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 126.629 2.456 . . . . 0.0 106.031 176.162 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 127.606 3.066 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.73 36.66 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.232 178.14 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.38 154.0 44.17 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.439 -179.188 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.22 4.075 . . . . 0.0 103.587 173.974 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.62 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.706 3.128 . . . . 0.0 111.202 -177.91 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.295 174.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.41 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.497 2.131 . . . . 0.0 111.944 177.698 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.875 -177.498 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.98 148.51 47.58 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.746 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.23 77.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.152 2.782 . . . . 0.0 110.382 175.738 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.49 79.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.736 176.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.5 87.13 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.302 1.041 . . . . 0.0 111.568 -179.659 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.44 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.044 1.465 . . . . 0.0 109.302 178.491 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.83 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.721 -179.761 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.09 87.38 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.029 0.377 . . . . 0.0 111.232 176.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.26 86.87 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.448 -1.407 . . . . 0.0 110.819 176.026 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.44 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.249 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.45 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.559 2.599 . . . . 0.0 109.002 179.471 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.63 66.65 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.39 17.94 Favored 'General case' 0 C--O 1.279 2.632 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.39 8.07 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.111 2.687 . . . . 0.0 113.981 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.16 Favored Glycine 0 CA--C 1.478 -2.225 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.525 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.86 83.41 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.062 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.35 Favored 'Trans proline' 0 C--O 1.259 1.535 0 C-N-CA 123.153 2.568 . . . . 0.0 110.935 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.07 92.59 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.871 0.932 . . . . 0.0 113.405 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.948 -1.72 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.515 -1.366 . . . . 0.0 112.009 178.703 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.77 34.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.311 2.005 . . . . 0.0 115.629 -177.611 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.33 115.95 23.9 Favored 'General case' 0 C--O 1.296 3.503 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 172.129 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.414 1.006 . . . . 0.0 109.968 -177.524 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 125.111 1.507 . . . . 0.0 111.92 -177.508 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 177.514 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.68 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.813 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.56 61.13 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 128.366 2.888 . . . . 0.0 117.464 -179.524 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.6 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 174.525 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.37 37.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.019 -175.896 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.98 36.77 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.042 1.464 . . . . 0.0 109.976 -177.776 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.21 29.24 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.744 3.609 . . . . 0.0 120.744 -175.85 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.3 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.56 17.01 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 120.04 -1.859 . . . . 0.0 107.988 176.518 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 177.111 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.158 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.96 -29.58 70.73 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.175 -179.444 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.466 1.127 . . . . 0.0 110.698 179.766 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.969 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.59 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.599 1.999 . . . . 0.0 111.236 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.212 -2.328 . . . . 0.0 106.157 175.826 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.5 8.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 126.078 2.111 . . . . 0.0 109.467 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 142.99 26.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.176 1.465 . . . . 0.0 109.296 -176.937 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.1 10.57 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.919 2.562 . . . . 0.0 117.919 179.508 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.747 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.17 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.663 176.015 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.741 174.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.78 46.42 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.421 2.95 . . . . 0.0 105.885 177.947 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.471 176.592 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 175.105 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.213 0.53 . . . . 0.0 109.833 178.459 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 140.1 31.27 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.558 -179.22 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.992 2.683 . . . . 0.0 108.941 178.319 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 CA-C-O 115.972 -1.966 . . . . 0.0 105.698 173.365 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.11 49.56 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.421 4.825 . . . . 0.0 108.759 179.583 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.02 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.508 175.815 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.51 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.377 4.173 . . . . 0.0 108.036 -178.156 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.91 49.44 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.039 0.837 . . . . 0.0 112.61 -177.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.796 -2.362 . . . . 0.0 111.989 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.51 80.27 Favored Glycine 0 C--N 1.297 -1.61 0 O-C-N 120.083 -1.636 . . . . 0.0 116.158 179.785 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.45 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.97 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.81 55.36 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.614 2.447 . . . . 0.0 106.005 176.135 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.53 3.019 . . . . 0.0 109.072 179.621 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.69 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.241 -1.784 . . . . 0.0 108.233 178.129 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.498 1.971 1 O-C-N 129.183 4.052 . . . . 0.0 103.568 174.021 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 127.697 3.123 . . . . 0.0 111.226 -177.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.174 -2.284 . . . . 0.0 106.309 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.41 39.39 Favored 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 122.587 2.192 . . . . 0.0 111.951 177.664 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.07 -0.966 . . . . 0.0 110.876 -177.463 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.53 47.4 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.876 -179.047 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.686 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.26 77.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.203 2.814 . . . . 0.0 110.39 175.791 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.19 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.742 176.976 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.48 87.11 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 124.288 1.035 . . . . 0.0 111.525 -179.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.41 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.038 1.461 . . . . 0.0 109.311 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.95 83.75 Favored 'General case' 0 C--O 1.257 1.459 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.02 87.05 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.032 0.378 . . . . 0.0 111.229 176.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.2 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.422 -1.424 . . . . 0.0 110.795 176.021 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.54 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.6 79.37 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.474 2.559 . . . . 0.0 108.995 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.74 66.55 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.703 179.182 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.37 17.97 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -175.65 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.4 8.07 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.075 2.671 . . . . 0.0 113.962 179.795 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.477 -2.293 0 N-CA-C 118.906 2.323 . . . . 0.0 118.906 176.551 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.84 83.39 Favored Pre-proline 0 C--O 1.243 0.711 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.006 179.696 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.87 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.138 2.559 . . . . 0.0 110.911 178.218 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.13 92.77 Favored 'Trans proline' 0 C--O 1.263 1.725 0 C-N-CA 120.71 0.94 . . . . 0.0 113.398 -179.337 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.956 -1.715 . . . . 0.0 112.205 -177.446 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.44 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.532 -1.355 . . . . 0.0 112.087 178.672 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.339 2.018 . . . . 0.0 115.616 -177.621 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.506 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 172.049 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.97 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.439 1.018 . . . . 0.0 109.986 -177.579 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.13 1.519 . . . . 0.0 111.931 -177.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 177.509 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.48 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 112.311 -2.222 . . . . 0.0 110.761 177.408 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.6 61.04 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.324 2.869 . . . . 0.0 117.517 -179.518 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 177.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.26 34.61 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.588 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.34 37.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.04 -175.885 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.72 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.051 1.469 . . . . 0.0 109.969 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.21 29.61 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.813 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.415 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 -177.391 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 120.0 -1.882 . . . . 0.0 108.019 176.493 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 177.145 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.25 79.29 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.136 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 117.31 -1.756 . . . . 0.0 112.163 -179.447 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.3 70.66 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 122.483 1.135 . . . . 0.0 110.767 179.758 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.72 51.36 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 117.642 -1.17 . . . . 0.0 112.975 179.245 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.59 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 121.568 1.985 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.182 175.838 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.47 8.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.565 -176.878 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.572 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.7 143.0 26.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.217 1.484 . . . . 0.0 109.23 -176.946 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.433 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.51 34.61 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.791 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.942 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 114.68 -2.581 . . . . 0.0 105.722 174.999 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 127.463 2.977 . . . . 0.0 105.895 177.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.642 -1.171 . . . . 0.0 111.496 176.575 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.137 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.41 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.1 32.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.282 0 CA-C-O 113.412 -3.185 . . . . 0.0 105.525 -179.058 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 126.976 2.672 . . . . 0.0 108.891 178.336 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.433 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.48 Favored 'General case' 0 N--CA 1.512 2.659 1 O-C-N 130.494 4.871 . . . . 0.0 108.744 179.598 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.547 175.808 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.46 41.16 Favored 'General case' 0 N--CA 1.504 2.254 1 O-C-N 129.41 4.194 . . . . 0.0 108.082 -178.165 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.007 0.817 . . . . 0.0 112.585 -177.952 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.853 -2.339 . . . . 0.0 112.017 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.36 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.191 -1.568 . . . . 0.0 116.115 179.781 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 174.992 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 126.614 2.446 . . . . 0.0 106.036 176.167 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.592 3.058 . . . . 0.0 109.056 179.673 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.78 36.67 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.216 -1.794 . . . . 0.0 108.246 178.07 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.02 44.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.19 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.35 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.211 4.069 . . . . 0.0 103.567 174.007 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.67 3.106 . . . . 0.0 111.219 -177.885 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.51 37.76 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.306 174.684 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.46 39.16 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.581 2.187 . . . . 0.0 111.928 177.753 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.877 -177.518 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.47 47.49 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.339 -1.744 . . . . 0.0 109.857 -179.026 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 127.16 2.787 . . . . 0.0 110.375 175.77 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.44 79.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.396 -0.815 . . . . 0.0 110.732 176.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.81 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.362 1.065 . . . . 0.0 111.523 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.38 89.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.085 1.49 . . . . 0.0 109.291 178.509 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.94 83.78 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.05 87.07 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 117.989 0.359 . . . . 0.0 111.204 176.858 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.2 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.395 -1.441 . . . . 0.0 110.817 176.011 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.51 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.555 2.598 . . . . 0.0 109.003 179.47 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.72 66.72 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.75 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.42 17.94 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 -175.642 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.33 8.12 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.105 2.684 . . . . 0.0 113.982 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.44 90.12 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.897 2.319 . . . . 0.0 118.897 176.534 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.28 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.126 2.551 . . . . 0.0 110.935 178.222 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.17 92.75 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.716 0.944 . . . . 0.0 113.417 -179.383 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.981 -1.699 . . . . 0.0 112.19 -177.429 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.481 -1.387 . . . . 0.0 112.06 178.71 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.294 1.997 . . . . 0.0 115.669 -177.648 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.139 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.21 50.89 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.456 1.025 . . . . 0.0 109.979 -177.561 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.152 1.533 . . . . 0.0 111.913 -177.546 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.65 18.96 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.485 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.794 177.398 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.56 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.324 2.868 . . . . 0.0 117.535 -179.449 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.687 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.55 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.38 37.49 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.737 -1.125 . . . . 0.0 110.035 -175.9 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.7 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 125.054 1.471 . . . . 0.0 109.982 -177.75 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.13 30.11 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 -175.831 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.83 85.26 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -177.307 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.01 -1.877 . . . . 0.0 107.977 176.514 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.157 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.117 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.63 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.138 -179.49 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.32 70.49 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.419 1.104 . . . . 0.0 110.666 179.816 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.62 51.48 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.998 179.293 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.4 18.4 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.529 1.968 . . . . 0.0 111.184 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.183 175.812 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.086 2.116 . . . . 0.0 109.517 -176.866 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.74 143.05 26.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.24 1.495 . . . . 0.0 109.23 -176.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.16 10.64 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 179.453 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.797 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.73 52.21 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.955 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.73 -2.557 . . . . 0.0 105.695 175.063 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.81 46.39 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 127.348 2.905 . . . . 0.0 105.934 177.896 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.594 -1.193 . . . . 0.0 111.488 176.611 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.114 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.2 0.524 . . . . 0.0 109.866 178.384 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 139.74 31.8 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.259 0 CA-C-O 113.393 -3.194 . . . . 0.0 105.495 -179.448 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.968 2.668 . . . . 0.0 108.941 178.28 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.411 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.436 4.835 . . . . 0.0 108.792 179.564 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.22 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.417 -3.182 . . . . 0.0 105.543 175.808 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.48 41.27 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.349 4.156 . . . . 0.0 108.035 -178.142 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.46 170.75 8.4 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.73 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.033 0.833 . . . . 0.0 112.584 -177.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 15.02 30.16 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.992 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.48 80.31 Favored Glycine 0 C--N 1.296 -1.641 0 O-C-N 120.16 -1.588 . . . . 0.0 116.126 179.757 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.935 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.589 2.431 . . . . 0.0 105.993 176.157 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.629 3.081 . . . . 0.0 109.083 179.609 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.185 178.16 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.01 44.26 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 115.331 -2.271 . . . . 0.0 108.416 -179.193 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.15 44.27 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.229 4.081 . . . . 0.0 103.523 173.995 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.64 15.86 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 O-C-N 127.711 3.132 . . . . 0.0 111.208 -177.918 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.53 37.74 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 112.143 -2.299 . . . . 0.0 106.3 174.724 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.33 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.566 2.177 . . . . 0.0 111.953 177.713 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.11 59.14 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.894 -177.487 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.47 47.52 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.046 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.41 21.25 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 175.658 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.28 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 127.155 2.784 . . . . 0.0 110.425 175.722 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.36 79.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.409 -0.807 . . . . 0.0 110.71 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.46 86.67 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.336 1.055 . . . . 0.0 111.504 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.52 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.076 1.485 . . . . 0.0 109.272 178.527 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.93 83.69 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.08 87.37 Favored 'General case' 0 C--O 1.279 2.643 0 CA-C-N 117.967 0.348 . . . . 0.0 111.227 176.889 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.31 87.03 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.41 -1.432 . . . . 0.0 110.796 176.02 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.264 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.907 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.6 79.27 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.527 2.584 . . . . 0.0 109.022 179.445 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.74 66.46 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.762 179.178 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 -175.693 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.4 8.1 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 123.133 2.697 . . . . 0.0 113.97 179.808 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.309 0 N-CA-C 118.885 2.314 . . . . 0.0 118.885 176.552 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.05 179.662 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.575 0 C-N-CA 123.142 2.562 . . . . 0.0 110.894 178.213 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.67 Favored 'Trans proline' 0 C--O 1.261 1.66 0 O-C-N 122.873 0.933 . . . . 0.0 113.398 -179.35 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.977 -1.702 . . . . 0.0 112.23 -177.461 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.551 -1.343 . . . . 0.0 112.036 178.714 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 124.351 2.024 . . . . 0.0 115.658 -177.699 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 116.0 24.05 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.139 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.98 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 119.422 1.01 . . . . 0.0 109.972 -177.591 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.147 1.529 . . . . 0.0 111.876 -177.535 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.521 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.94 19.65 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.302 -2.227 . . . . 0.0 110.758 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.57 60.94 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 128.374 2.892 . . . . 0.0 117.505 -179.505 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.655 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.58 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.041 -175.884 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.01 36.72 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.074 1.484 . . . . 0.0 109.999 -177.765 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.16 29.71 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.803 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.85 85.22 Favored Glycine 0 CA--C 1.492 -1.344 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.303 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.028 -1.866 . . . . 0.0 108.024 176.478 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.54 11.68 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.117 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.24 79.23 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.162 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.223 -179.511 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.28 70.54 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.452 1.12 . . . . 0.0 110.715 179.73 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.66 51.52 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.914 179.353 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.39 18.49 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.579 1.99 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.138 -2.363 . . . . 0.0 106.184 175.815 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.05 2.094 . . . . 0.0 109.56 -176.856 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 143.03 26.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.186 1.47 . . . . 0.0 109.26 -176.911 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.395 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 179.483 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.75 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.67 52.11 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.656 -2.592 . . . . 0.0 105.731 175.002 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.37 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.461 2.976 . . . . 0.0 105.885 177.923 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.767 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.532 176.566 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.125 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 178.462 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.36 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.307 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.502 179.992 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.936 2.648 . . . . 0.0 108.93 178.294 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 173.368 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.63 1 O-C-N 130.479 4.862 . . . . 0.0 108.773 179.585 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.406 -3.187 . . . . 0.0 105.512 175.79 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.51 41.25 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.071 -178.179 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.72 8.4 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -6.97 49.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.023 0.827 . . . . 0.0 112.612 -177.964 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.758 -2.377 . . . . 0.0 111.989 179.962 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.52 80.33 Favored Glycine 0 C--N 1.297 -1.629 0 O-C-N 120.095 -1.628 . . . . 0.0 116.141 179.745 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.964 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.543 2.402 . . . . 0.0 105.998 176.159 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 127.552 3.033 . . . . 0.0 109.086 179.615 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.76 36.73 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 117.288 -1.765 . . . . 0.0 108.281 178.122 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.06 44.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.449 -179.191 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.203 4.065 . . . . 0.0 103.587 174.003 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.684 3.115 . . . . 0.0 111.274 -177.937 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.207 -2.27 . . . . 0.0 106.341 174.705 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 111.972 177.684 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.916 -177.522 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 175.734 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.29 77.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 127.232 2.832 . . . . 0.0 110.372 175.803 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.48 79.14 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.367 -0.833 . . . . 0.0 110.734 176.979 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.4 87.15 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 124.349 1.06 . . . . 0.0 111.526 -179.625 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.45 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.06 1.475 . . . . 0.0 109.273 178.532 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.84 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.802 -179.751 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.07 87.35 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.978 0.354 . . . . 0.0 111.227 176.841 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.28 86.94 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 120.401 -1.437 . . . . 0.0 110.795 176.024 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.928 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.6 79.23 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.492 2.568 . . . . 0.0 109.007 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.38 -41.83 66.28 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.734 179.137 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.64 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.34 8.07 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.522 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.244 0.791 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.05 136.97 79.83 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.189 2.593 . . . . 0.0 110.892 178.187 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.65 Favored 'Trans proline' 0 C--O 1.262 1.698 0 C-N-CA 120.672 0.915 . . . . 0.0 113.37 -179.344 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 119.984 -1.697 . . . . 0.0 112.204 -177.437 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.534 -1.354 . . . . 0.0 112.043 178.678 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.76 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.647 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.88 Favored 'General case' 0 C--O 1.296 3.514 0 N-CA-C 104.91 -2.256 . . . . 0.0 104.91 172.115 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.485 1.039 . . . . 0.0 109.962 -177.547 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.119 1.512 . . . . 0.0 111.913 -177.491 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.17 129.72 19.05 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.482 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.98 19.4 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.289 -2.232 . . . . 0.0 110.718 177.349 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.59 60.97 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.349 2.88 . . . . 0.0 117.451 -179.555 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.69 46.29 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.66 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.533 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.006 -175.864 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.98 36.73 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.091 1.495 . . . . 0.0 109.977 -177.732 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.19 29.77 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.81 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.29 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.372 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.004 -1.88 . . . . 0.0 107.988 176.514 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.151 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.144 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.169 -179.464 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.25 70.65 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.462 1.125 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.66 51.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.709 -1.139 . . . . 0.0 113.01 179.268 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.35 18.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.528 1.967 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.097 -2.382 . . . . 0.0 106.183 175.784 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.151 2.157 . . . . 0.0 109.545 -176.861 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -54.73 143.02 26.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.248 1.499 . . . . 0.0 109.288 -176.941 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.14 10.62 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 179.515 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.54 34.52 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.795 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.7 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.9 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.703 -2.57 . . . . 0.0 105.729 174.998 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.181 0 O-C-N 127.418 2.949 . . . . 0.0 105.873 177.929 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.781 0 CA-C-O 117.598 -1.191 . . . . 0.0 111.526 176.577 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.076 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 178.479 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.257 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.492 179.107 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.22 31.76 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.959 2.662 . . . . 0.0 108.935 178.313 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.378 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.684 1 O-C-N 130.442 4.839 . . . . 0.0 108.766 179.58 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.497 175.843 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.52 41.29 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.379 4.174 . . . . 0.0 108.057 -178.174 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.03 49.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.023 0.827 . . . . 0.0 112.621 -177.976 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.98 30.27 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.957 179.957 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.49 80.32 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.121 -1.612 . . . . 0.0 116.132 179.711 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.06 34.48 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.02 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.8 55.39 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.621 2.451 . . . . 0.0 106.011 176.166 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.621 3.075 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.74 36.65 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.192 178.143 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.378 -2.248 . . . . 0.0 108.437 -179.193 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.188 4.055 . . . . 0.0 103.527 174.001 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.632 3.082 . . . . 0.0 111.232 -177.937 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.76 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.284 174.729 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.42 39.76 Favored 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 122.502 2.135 . . . . 0.0 111.959 177.682 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.886 -177.504 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.89 -179.043 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.42 21.19 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.232 2.832 . . . . 0.0 110.334 175.776 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.349 -0.844 . . . . 0.0 110.755 176.993 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.39 86.99 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.323 1.049 . . . . 0.0 111.521 -179.651 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.4 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 125.098 1.499 . . . . 0.0 109.305 178.547 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.93 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 117.973 0.351 . . . . 0.0 111.226 176.884 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 87.01 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.383 -1.448 . . . . 0.0 110.819 176.014 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.869 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.58 79.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 125.552 2.596 . . . . 0.0 108.995 179.487 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.54 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 113.648 -1.614 . . . . 0.0 111.75 179.179 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.41 17.93 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -175.638 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.08 2.673 . . . . 0.0 113.929 179.833 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 5.39 90.09 Favored Glycine 0 CA--C 1.478 -2.267 0 N-CA-C 118.852 2.301 . . . . 0.0 118.852 176.511 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.79 124.84 83.22 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.829 -1.148 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.566 0 C-N-CA 123.126 2.551 . . . . 0.0 110.909 178.229 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.19 92.82 Favored 'Trans proline' 0 C--O 1.262 1.685 0 C-N-CA 120.713 0.942 . . . . 0.0 113.409 -179.351 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 120.001 -1.687 . . . . 0.0 112.232 -177.422 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.79 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.455 -1.403 . . . . 0.0 112.072 178.699 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.26 1.981 . . . . 0.0 115.626 -177.637 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.93 23.96 Favored 'General case' 0 C--O 1.296 3.51 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 172.082 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.417 1.008 . . . . 0.0 109.983 -177.591 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 125.14 1.525 . . . . 0.0 111.881 -177.512 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.5 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.51 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.744 177.35 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.6 60.94 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.352 2.882 . . . . 0.0 117.51 -179.515 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 177.73 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 174.539 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.32 37.51 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.02 -175.882 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.02 36.68 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.092 1.495 . . . . 0.0 109.937 -177.744 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.18 29.89 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.833 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.492 -1.378 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.315 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.57 16.99 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 119.967 -1.902 . . . . 0.0 107.981 176.487 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.094 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.24 79.29 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.161 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.154 -179.482 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.34 70.62 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.474 1.131 . . . . 0.0 110.737 179.724 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.695 -1.145 . . . . 0.0 113.016 179.262 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.3 18.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.532 1.969 . . . . 0.0 111.195 179.857 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.15 175.832 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.12 2.138 . . . . 0.0 109.497 -176.827 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 39.2 ttmt -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.199 1.476 . . . . 0.0 109.271 -176.92 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.19 10.6 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 179.42 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.765 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.95 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.74 -2.552 . . . . 0.0 105.739 174.985 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.79 46.42 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.398 2.936 . . . . 0.0 105.905 177.94 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.779 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.509 176.587 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.94 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.128 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.183 0.516 . . . . 0.0 109.815 178.486 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 132.13 41.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.294 0 CA-C-O 113.363 -3.208 . . . . 0.0 105.531 174.262 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 126.936 2.648 . . . . 0.0 108.886 178.31 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.379 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.26 49.42 Favored 'General case' 0 N--CA 1.512 2.629 1 O-C-N 130.469 4.855 . . . . 0.0 108.802 179.518 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 113.447 -3.168 . . . . 0.0 105.476 175.824 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.422 4.201 . . . . 0.0 108.064 -178.164 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.89 49.24 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.004 0.815 . . . . 0.0 112.581 -177.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 115.821 -2.352 . . . . 0.0 111.991 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.53 80.3 Favored Glycine 0 C--N 1.298 -1.579 0 O-C-N 120.133 -1.604 . . . . 0.0 116.108 179.76 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.969 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.607 2.442 . . . . 0.0 106.013 176.123 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 127.616 3.073 . . . . 0.0 109.077 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.6 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.253 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.27 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.39 -2.243 . . . . 0.0 108.414 -179.165 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.46 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.193 4.058 . . . . 0.0 103.625 173.951 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.697 3.123 . . . . 0.0 111.206 -177.876 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.332 174.676 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.45 39.17 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.591 2.194 . . . . 0.0 111.963 177.689 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.868 -177.493 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.345 -1.742 . . . . 0.0 109.878 -179.089 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.43 21.24 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.699 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.221 2.826 . . . . 0.0 110.374 175.779 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.292 -0.88 . . . . 0.0 110.773 176.957 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.3 1.04 . . . . 0.0 111.532 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.066 1.479 . . . . 0.0 109.352 178.484 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.96 83.8 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.08 87.32 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 118.048 0.385 . . . . 0.0 111.198 176.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.98 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 120.368 -1.458 . . . . 0.0 110.793 176.015 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.925 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.55 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 125.487 2.565 . . . . 0.0 109.013 179.454 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.68 66.71 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.746 179.155 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.46 17.94 Favored 'General case' 0 C--O 1.279 2.639 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.696 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.122 2.692 . . . . 0.0 113.973 179.792 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.42 90.1 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.54 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.021 179.708 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.57 Favored 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 123.191 2.594 . . . . 0.0 110.9 178.211 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.18 92.8 Favored 'Trans proline' 0 C--O 1.263 1.731 0 O-C-N 122.906 0.951 . . . . 0.0 113.394 -179.362 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.976 -1.702 . . . . 0.0 112.225 -177.445 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.84 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.477 -1.39 . . . . 0.0 112.014 178.694 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.378 2.037 . . . . 0.0 115.606 -177.621 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.04 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 172.119 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.68 130.27 51.13 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.454 1.024 . . . . 0.0 109.997 -177.508 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 125.23 1.581 . . . . 0.0 111.912 -177.486 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.543 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.06 19.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.774 177.399 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.59 60.85 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.319 2.866 . . . . 0.0 117.505 -179.502 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.675 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.796 -2.668 . . . . 0.0 103.796 174.564 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.728 -1.13 . . . . 0.0 110.023 -175.883 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.07 1.481 . . . . 0.0 109.938 -177.69 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.68 Favored 'General case' 0 C--O 1.266 1.931 0 N-CA-C 120.711 3.597 . . . . 0.0 120.711 -175.827 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 -177.367 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.54 17.03 Favored 'General case' 0 C--O 1.25 1.086 0 O-C-N 119.952 -1.91 . . . . 0.0 108.032 176.487 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.134 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.24 79.25 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.162 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.63 70.8 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.176 -179.48 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.52 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.498 1.142 . . . . 0.0 110.775 179.698 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.65 51.5 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.007 179.271 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.43 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 121.549 1.977 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.164 175.831 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.111 2.132 . . . . 0.0 109.535 -176.868 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -54.74 143.06 26.47 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 123.208 1.48 . . . . 0.0 109.272 -176.906 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.465 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 174.819 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.63 52.05 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.965 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.62 19.11 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.73 174.995 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.87 177.919 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.79 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.552 176.541 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.102 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.188 0.518 . . . . 0.0 109.85 178.4 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.583 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.84 35.98 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.243 0 CA-C-O 113.377 -3.202 . . . . 0.0 105.487 -179.871 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.25 31.74 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.933 2.645 . . . . 0.0 108.914 178.347 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.396 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.24 49.44 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.457 4.848 . . . . 0.0 108.797 179.54 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.13 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.479 175.869 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.47 41.17 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.429 4.206 . . . . 0.0 108.107 -178.201 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.78 8.37 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.92 49.51 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.012 0.82 . . . . 0.0 112.595 -177.939 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.021 179.952 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.38 Favored Glycine 0 C--N 1.298 -1.559 0 O-C-N 120.186 -1.571 . . . . 0.0 116.167 179.765 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.11 34.35 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 175.011 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.585 2.428 . . . . 0.0 106.053 176.127 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 127.629 3.081 . . . . 0.0 109.037 179.666 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.229 178.094 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.02 44.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 115.391 -2.242 . . . . 0.0 108.449 -179.189 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.24 44.5 Favored 'General case' 0 N--CA 1.499 2.016 1 O-C-N 129.142 4.026 . . . . 0.0 103.581 173.981 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.63 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.7 3.125 . . . . 0.0 111.218 -177.879 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.972 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.348 174.675 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.49 39.75 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.52 2.146 . . . . 0.0 111.969 177.73 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -177.478 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.5 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.361 -1.736 . . . . 0.0 109.88 -179.043 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.72 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.197 2.81 . . . . 0.0 110.374 175.754 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.4 79.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.407 -0.808 . . . . 0.0 110.747 176.963 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.46 86.95 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.298 1.039 . . . . 0.0 111.515 -179.609 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 125.104 1.502 . . . . 0.0 109.337 178.495 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.99 83.75 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.03 87.18 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 118.012 0.369 . . . . 0.0 111.264 176.851 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.343 -1.473 . . . . 0.0 110.792 175.983 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.42 77.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.58 79.32 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.512 2.577 . . . . 0.0 109.065 179.429 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.55 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.624 -1.625 . . . . 0.0 111.712 179.135 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.42 17.98 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.673 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.12 2.691 . . . . 0.0 113.929 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.13 Favored Glycine 0 CA--C 1.477 -2.289 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.513 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.055 179.648 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.91 79.44 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.174 2.583 . . . . 0.0 110.9 178.196 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.66 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 122.858 0.925 . . . . 0.0 113.405 -179.371 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.925 -1.734 . . . . 0.0 112.2 -177.461 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.76 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.515 -1.365 . . . . 0.0 112.011 178.689 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.75 34.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 124.292 1.996 . . . . 0.0 115.631 -177.661 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.5 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.093 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.454 1.025 . . . . 0.0 110.006 -177.615 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.139 1.524 . . . . 0.0 111.925 -177.527 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.69 18.9 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.518 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.01 19.3 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.777 177.417 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.51 61.06 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.371 2.891 . . . . 0.0 117.532 -179.477 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.68 46.3 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.686 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.555 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.44 37.51 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.009 -175.859 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.082 1.489 . . . . 0.0 109.916 -177.714 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.96 85.15 Favored Glycine 0 CA--C 1.492 -1.348 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.312 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.53 17.1 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 120.051 -1.852 . . . . 0.0 108.021 176.49 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.071 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 177.187 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.131 -179.457 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.33 70.55 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.495 1.141 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.31 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.969 179.307 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.39 18.53 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.536 1.971 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.36 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.11 -2.376 . . . . 0.0 106.18 175.823 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 126.064 2.103 . . . . 0.0 109.53 -176.841 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 0.1 OUTLIER -54.71 143.05 26.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.137 1.446 . . . . 0.0 109.287 -176.908 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 179.499 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 174.791 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.22 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.968 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.6 19.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.658 -2.591 . . . . 0.0 105.751 175.008 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.38 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 127.426 2.954 . . . . 0.0 105.888 177.902 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.515 176.59 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.606 -2.739 . . . . 0.0 103.606 175.135 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 178.499 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.07 32.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.329 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.526 -179.685 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 126.963 2.664 . . . . 0.0 108.952 178.326 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 162.99 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.386 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.2 49.47 Favored 'General case' 0 N--CA 1.511 2.618 1 O-C-N 130.451 4.844 . . . . 0.0 108.798 179.575 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.506 175.825 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.5 41.18 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.382 4.176 . . . . 0.0 108.057 -178.191 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.96 49.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.053 0.845 . . . . 0.0 112.606 -177.928 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.974 179.918 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.43 80.32 Favored Glycine 0 C--N 1.297 -1.601 0 O-C-N 120.136 -1.602 . . . . 0.0 116.143 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.01 34.47 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 174.972 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.77 55.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.595 2.435 . . . . 0.0 106.024 176.142 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 127.628 3.08 . . . . 0.0 109.076 179.656 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.6 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.226 178.153 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.05 44.22 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 115.365 -2.255 . . . . 0.0 108.475 -179.207 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.4 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.176 4.048 . . . . 0.0 103.59 174.0 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.67 3.106 . . . . 0.0 111.256 -177.911 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.06 144.51 37.82 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.309 174.701 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.5 39.27 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.516 2.144 . . . . 0.0 111.944 177.712 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.901 -177.511 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.53 47.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.897 -179.038 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.46 21.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.681 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.27 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.186 2.804 . . . . 0.0 110.401 175.734 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.04 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.341 -0.85 . . . . 0.0 110.72 176.999 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.49 87.06 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.301 1.04 . . . . 0.0 111.494 -179.594 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.069 1.481 . . . . 0.0 109.297 178.511 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.92 83.61 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.783 -179.764 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.33 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-N 117.965 0.348 . . . . 0.0 111.177 176.884 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.18 -37.4 87.34 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.347 -1.471 . . . . 0.0 110.814 176.043 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.58 79.49 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.515 2.579 . . . . 0.0 108.982 179.446 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.68 66.63 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.772 179.14 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.691 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 -175.677 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.149 2.704 . . . . 0.0 113.961 179.802 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.478 -2.224 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.779 -1.169 . . . . 0.0 111.003 179.712 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.164 2.576 . . . . 0.0 110.906 178.223 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.14 92.61 Favored 'Trans proline' 0 C--O 1.262 1.696 0 C-N-CA 120.695 0.93 . . . . 0.0 113.417 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.926 -1.734 . . . . 0.0 112.218 -177.44 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.46 28.99 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.494 -1.379 . . . . 0.0 112.01 178.778 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.342 2.02 . . . . 0.0 115.584 -177.596 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.296 3.546 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.98 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.482 1.037 . . . . 0.0 110.016 -177.568 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.81 72.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.129 1.518 . . . . 0.0 111.935 -177.529 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.73 19.02 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.522 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.11 19.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 112.227 -2.261 . . . . 0.0 110.745 177.359 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.62 60.86 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 128.387 2.898 . . . . 0.0 117.487 -179.515 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.664 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.54 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.36 37.52 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.028 -175.909 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.72 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.031 1.457 . . . . 0.0 109.931 -177.749 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.17 29.62 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.9 85.22 Favored Glycine 0 CA--C 1.491 -1.438 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 119.976 -1.897 . . . . 0.0 108.005 176.527 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 177.127 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.27 79.47 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.151 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.81 -29.6 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.273 -1.771 . . . . 0.0 112.191 -179.534 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.31 70.6 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.528 1.156 . . . . 0.0 110.749 179.753 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.67 51.49 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.264 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.59 1.995 . . . . 0.0 111.19 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.212 175.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.107 2.13 . . . . 0.0 109.5 -176.831 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.61 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.163 1.458 . . . . 0.0 109.286 -176.881 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.24 10.67 Favored 'General case' 0 C--O 1.255 1.387 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 179.486 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.53 34.49 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.72 52.21 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.93 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.64 19.13 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.75 -2.548 . . . . 0.0 105.695 175.034 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.39 Favored 'General case' 0 C--N 1.286 -2.174 0 O-C-N 127.391 2.932 . . . . 0.0 105.877 177.929 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.579 -1.201 . . . . 0.0 111.537 176.596 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.149 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.161 0.505 . . . . 0.0 109.833 178.442 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.0 35.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.321 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.501 179.436 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 127.009 2.693 . . . . 0.0 108.912 178.283 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 173.389 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.57 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.542 175.796 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.2 127.51 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.156 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.37 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.801 -1.095 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.95 49.58 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.092 0.87 . . . . 0.0 112.597 -177.979 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.006 179.955 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.42 80.36 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.129 -1.607 . . . . 0.0 116.169 179.777 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.06 34.42 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 174.994 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 126.648 2.467 . . . . 0.0 105.964 176.167 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 127.569 3.043 . . . . 0.0 109.066 179.595 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.24 178.096 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.03 44.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.332 -2.27 . . . . 0.0 108.394 -179.137 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.259 4.1 . . . . 0.0 103.53 174.031 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.68 15.75 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.657 3.098 . . . . 0.0 111.21 -177.912 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.54 37.84 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.56 2.173 . . . . 0.0 111.981 177.689 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.17 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.86 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.45 47.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.839 -179.021 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.72 160.4 21.3 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.668 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 O-C-N 127.167 2.792 . . . . 0.0 110.398 175.797 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.46 78.99 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.383 -0.823 . . . . 0.0 110.746 176.969 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.47 87.13 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.299 1.04 . . . . 0.0 111.512 -179.641 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.085 1.491 . . . . 0.0 109.339 178.5 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.02 83.81 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.746 -179.748 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.21 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.013 0.369 . . . . 0.0 111.268 176.869 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.424 -1.423 . . . . 0.0 110.819 176.01 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.55 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.93 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.48 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.572 2.606 . . . . 0.0 109.048 179.485 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.761 179.122 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.64 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.36 8.09 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 123.097 2.68 . . . . 0.0 113.99 179.814 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.279 0 N-CA-C 118.918 2.327 . . . . 0.0 118.918 176.553 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.35 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.97 79.89 Favored 'Trans proline' 0 C--O 1.259 1.559 0 C-N-CA 123.133 2.556 . . . . 0.0 110.901 178.204 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.18 92.86 Favored 'Trans proline' 0 C--O 1.263 1.725 0 O-C-N 122.891 0.943 . . . . 0.0 113.411 -179.397 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.895 -1.753 . . . . 0.0 112.197 -177.412 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.92 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.516 -1.365 . . . . 0.0 112.048 178.735 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.334 2.016 . . . . 0.0 115.608 -177.674 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 172.11 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.32 51.08 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.511 1.05 . . . . 0.0 110.003 -177.577 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.249 1.593 . . . . 0.0 111.895 -177.482 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.385 -2.079 . . . . 0.0 105.385 177.502 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.243 -2.253 . . . . 0.0 110.782 177.37 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.96 Favored Glycine 0 N--CA 1.433 -1.526 0 C-N-CA 128.342 2.877 . . . . 0.0 117.488 -179.522 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.67 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 174.52 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.051 -175.894 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.71 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.026 1.454 . . . . 0.0 109.956 -177.731 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.8 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.794 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.87 85.27 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.334 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.54 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.99 -1.888 . . . . 0.0 108.034 176.506 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.165 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.1 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.175 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.18 -179.473 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.61 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 122.474 1.13 . . . . 0.0 110.718 179.75 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.56 51.69 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.978 179.288 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.36 18.34 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 121.581 1.991 . . . . 0.0 111.2 179.895 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.157 175.824 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.145 2.153 . . . . 0.0 109.502 -176.833 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 24.9 ttpp -54.81 143.07 26.79 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 123.253 1.502 . . . . 0.0 109.283 -176.948 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 179.514 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.796 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.29 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.964 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.757 174.951 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.41 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.397 2.936 . . . . 0.0 105.941 177.932 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.645 -1.169 . . . . 0.0 111.477 176.648 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.91 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.11 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.169 0.509 . . . . 0.0 109.829 178.468 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 133.7 39.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.299 0 CA-C-O 113.379 -3.2 . . . . 0.0 105.524 174.365 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 126.987 2.679 . . . . 0.0 108.906 178.333 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 173.34 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.22 49.46 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.425 4.828 . . . . 0.0 108.78 179.574 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.456 175.849 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.54 41.29 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.379 4.174 . . . . 0.0 108.082 -178.201 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.71 8.41 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.99 49.79 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.069 0.856 . . . . 0.0 112.596 -177.95 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.991 179.927 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.118 -1.613 . . . . 0.0 116.169 179.786 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.44 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 174.977 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.677 2.486 . . . . 0.0 106.018 176.135 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 127.608 3.068 . . . . 0.0 109.017 179.699 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.8 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.266 -1.774 . . . . 0.0 108.261 178.085 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.418 -179.189 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.47 Favored 'General case' 0 N--CA 1.498 1.965 1 O-C-N 129.175 4.047 . . . . 0.0 103.578 174.014 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.748 3.155 . . . . 0.0 111.206 -177.886 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.162 -2.29 . . . . 0.0 106.374 174.629 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.35 Favored 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 122.537 2.158 . . . . 0.0 111.96 177.747 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.951 -177.559 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.46 47.56 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.34 -1.744 . . . . 0.0 109.854 -179.045 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.42 21.25 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.702 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 O-C-N 127.184 2.803 . . . . 0.0 110.368 175.829 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.385 -0.822 . . . . 0.0 110.744 176.995 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.94 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.329 1.052 . . . . 0.0 111.513 -179.65 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.108 1.505 . . . . 0.0 109.292 178.539 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.69 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 -179.741 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.99 87.03 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.001 0.364 . . . . 0.0 111.209 176.891 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 120.355 -1.466 . . . . 0.0 110.803 176.025 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.49 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.61 79.26 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.475 2.559 . . . . 0.0 109.019 179.476 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.43 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.745 179.161 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.93 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.686 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.086 2.676 . . . . 0.0 113.972 179.838 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.28 5.29 90.14 Favored Glycine 0 CA--C 1.478 -2.278 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.55 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.29 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.791 -1.163 . . . . 0.0 111.048 179.662 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.89 79.33 Favored 'Trans proline' 0 C--O 1.259 1.545 0 C-N-CA 123.097 2.531 . . . . 0.0 110.928 178.228 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.699 0 O-C-N 122.84 0.916 . . . . 0.0 113.431 -179.323 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.96 -1.712 . . . . 0.0 112.225 -177.444 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.48 28.92 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.472 -1.392 . . . . 0.0 112.03 178.719 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.295 1.998 . . . . 0.0 115.669 -177.726 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.95 23.98 Favored 'General case' 0 C--O 1.296 3.504 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.094 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.25 51.0 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.435 1.016 . . . . 0.0 110.032 -177.573 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.8 72.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 O-C-N 125.117 1.511 . . . . 0.0 111.932 -177.503 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.734 177.364 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.63 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.375 2.893 . . . . 0.0 117.536 -179.5 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.684 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 174.565 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.41 37.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.046 -175.884 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.96 36.8 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 125.054 1.471 . . . . 0.0 109.987 -177.759 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.16 -42.29 29.16 Favored 'General case' 0 C--O 1.266 1.93 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.838 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.9 85.26 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.287 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.6 17.02 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.993 -1.886 . . . . 0.0 107.978 176.506 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.137 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.22 79.38 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.21 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.61 70.78 Favored 'General case' 0 C--O 1.267 2.022 0 C-N-CA 117.309 -1.756 . . . . 0.0 112.18 -179.477 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.57 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.486 1.136 . . . . 0.0 110.701 179.809 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.967 179.294 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.37 18.62 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.563 1.983 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.066 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.163 175.801 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 126.077 2.11 . . . . 0.0 109.534 -176.868 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -54.77 143.06 26.65 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.197 1.475 . . . . 0.0 109.221 -176.894 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.18 10.63 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 179.443 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.802 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.66 52.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.948 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.71 175.001 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.73 46.54 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.413 2.946 . . . . 0.0 105.88 177.951 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.581 -1.199 . . . . 0.0 111.545 176.529 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.96 28.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.154 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.215 0.531 . . . . 0.0 109.817 178.457 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 134.17 39.42 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.288 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.535 179.907 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.924 2.64 . . . . 0.0 108.901 178.294 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.0 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 173.366 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.17 49.51 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.463 4.852 . . . . 0.0 108.816 179.559 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.534 175.848 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.45 41.14 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.398 4.186 . . . . 0.0 108.081 -178.176 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.79 8.36 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.9 49.39 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.042 0.839 . . . . 0.0 112.573 -177.957 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.828 -2.349 . . . . 0.0 111.98 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.33 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.125 -1.61 . . . . 0.0 116.13 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.989 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.621 2.451 . . . . 0.0 106.003 176.155 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.554 3.034 . . . . 0.0 109.002 179.648 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.225 -1.79 . . . . 0.0 108.258 178.072 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.372 -2.252 . . . . 0.0 108.405 -179.151 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.18 44.34 Favored 'General case' 0 N--CA 1.498 1.972 1 O-C-N 129.169 4.043 . . . . 0.0 103.579 173.976 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.59 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.747 3.154 . . . . 0.0 111.215 -177.928 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.47 37.55 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.113 -2.312 . . . . 0.0 106.333 174.682 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 122.52 2.147 . . . . 0.0 111.968 177.725 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.53 47.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.873 -179.037 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.706 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.3 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.179 2.799 . . . . 0.0 110.347 175.753 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.48 78.94 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.685 177.04 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.16 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.301 1.041 . . . . 0.0 111.542 -179.616 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.45 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.042 1.464 . . . . 0.0 109.325 178.472 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.83 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.788 -179.78 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.06 87.24 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 118.003 0.365 . . . . 0.0 111.205 176.863 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 120.449 -1.407 . . . . 0.0 110.802 176.034 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.04 -39.4 77.23 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.64 79.12 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.51 2.576 . . . . 0.0 108.978 179.501 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.42 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.763 179.134 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.28 2.67 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.673 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.185 2.72 . . . . 0.0 113.957 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.34 90.15 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.859 2.304 . . . . 0.0 118.859 176.501 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.88 83.36 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.821 -1.152 . . . . 0.0 110.986 179.706 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.85 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.193 2.596 . . . . 0.0 110.878 178.18 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.31 -32.1 92.81 Favored 'Trans proline' 0 C--O 1.262 1.682 0 C-N-CA 120.67 0.914 . . . . 0.0 113.428 -179.356 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.952 -1.718 . . . . 0.0 112.18 -177.447 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.48 28.9 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.493 -1.38 . . . . 0.0 112.069 178.684 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.67 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.312 2.006 . . . . 0.0 115.652 -177.659 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.98 24.03 Favored 'General case' 0 C--O 1.295 3.497 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 172.095 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.441 1.019 . . . . 0.0 109.961 -177.533 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.168 1.542 . . . . 0.0 111.951 -177.537 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 177.53 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.96 19.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.785 177.374 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.55 61.18 Favored Glycine 0 N--CA 1.432 -1.574 0 C-N-CA 128.399 2.904 . . . . 0.0 117.453 -179.512 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.706 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.37 37.52 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.702 -1.142 . . . . 0.0 110.053 -175.907 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 125.094 1.496 . . . . 0.0 110.006 -177.726 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.28 29.35 Favored 'General case' 0 C--O 1.266 1.921 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.801 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.295 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.52 17.07 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.965 -1.903 . . . . 0.0 107.974 176.525 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.104 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.35 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.184 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.82 -29.7 70.87 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.341 -1.744 . . . . 0.0 112.151 -179.5 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.46 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.422 1.106 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.66 51.46 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 117.726 -1.13 . . . . 0.0 113.021 179.272 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.5 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.531 1.969 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.146 175.863 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.086 2.116 . . . . 0.0 109.551 -176.873 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -54.73 143.0 26.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.231 1.491 . . . . 0.0 109.269 -176.933 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.489 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.829 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.987 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.65 19.09 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 114.684 -2.579 . . . . 0.0 105.757 174.981 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.43 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.419 2.949 . . . . 0.0 105.892 177.917 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.787 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.498 176.593 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.112 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.181 0.515 . . . . 0.0 109.823 178.472 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.54 37.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.292 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.492 -178.024 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 127.027 2.705 . . . . 0.0 108.942 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 173.438 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.65 1 O-C-N 130.454 4.846 . . . . 0.0 108.787 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.533 175.818 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.5 41.2 Favored 'General case' 0 N--CA 1.504 2.23 1 O-C-N 129.387 4.179 . . . . 0.0 108.045 -178.135 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.027 0.83 . . . . 0.0 112.561 -177.917 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.3 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.994 179.971 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.52 80.3 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.196 -1.565 . . . . 0.0 116.141 179.803 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 174.96 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.599 2.437 . . . . 0.0 105.999 176.185 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.586 3.054 . . . . 0.0 109.041 179.67 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 117.205 -1.798 . . . . 0.0 108.172 178.17 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.07 44.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.425 -179.217 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.22 44.43 Favored 'General case' 0 N--CA 1.499 1.98 1 O-C-N 129.207 4.067 . . . . 0.0 103.561 174.032 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.66 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.669 3.105 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.55 37.85 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 112.157 -2.292 . . . . 0.0 106.338 174.697 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.43 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.584 2.189 . . . . 0.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.909 -177.524 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.46 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.879 -179.024 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.38 21.29 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 175.753 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.217 2.823 . . . . 0.0 110.362 175.81 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.14 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.342 -0.849 . . . . 0.0 110.75 176.941 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.354 1.062 . . . . 0.0 111.518 -179.655 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.39 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.123 1.514 . . . . 0.0 109.291 178.543 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.88 -37.9 83.76 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.775 -179.797 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.02 87.03 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 118.02 0.373 . . . . 0.0 111.217 176.894 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.39 87.29 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.446 -1.409 . . . . 0.0 110.802 176.025 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.51 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.12 -48.59 79.45 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.464 2.554 . . . . 0.0 109.006 179.494 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.71 66.68 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.701 179.148 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.48 17.96 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.662 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.29 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.149 2.704 . . . . 0.0 113.969 179.779 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.508 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.01 179.706 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.26 1.585 0 C-N-CA 123.187 2.591 . . . . 0.0 110.953 178.206 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.79 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.909 0.952 . . . . 0.0 113.409 -179.354 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 120.02 -1.675 . . . . 0.0 112.183 -177.415 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.78 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.567 -1.333 . . . . 0.0 112.011 178.715 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.301 2.0 . . . . 0.0 115.595 -177.635 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.97 24.03 Favored 'General case' 0 C--O 1.296 3.507 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.119 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.04 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 119.443 1.019 . . . . 0.0 109.983 -177.563 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.139 1.524 . . . . 0.0 111.927 -177.542 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.93 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.518 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.229 -2.259 . . . . 0.0 110.788 177.369 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.48 61.03 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.352 2.882 . . . . 0.0 117.536 -179.464 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.717 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.81 130.25 34.61 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.54 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.017 -175.875 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 125.076 1.485 . . . . 0.0 109.958 -177.725 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.705 3.594 . . . . 0.0 120.705 -175.856 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.88 85.2 Favored Glycine 0 CA--C 1.491 -1.411 0 N-CA-C 116.097 1.199 . . . . 0.0 116.097 -177.335 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.55 17.07 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.05 -1.853 . . . . 0.0 107.997 176.533 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.266 -1.773 . . . . 0.0 112.2 -179.501 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.38 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.443 1.116 . . . . 0.0 110.685 179.793 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.71 51.32 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.711 -1.138 . . . . 0.0 112.971 179.311 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.28 18.5 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 121.578 1.99 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.063 0 CA-C-O 115.139 -2.363 . . . . 0.0 106.174 175.828 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.07 2.106 . . . . 0.0 109.57 -176.879 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -54.67 143.01 26.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 123.168 1.461 . . . . 0.0 109.275 -176.949 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.23 10.67 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.441 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.51 34.55 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.771 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.952 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.65 19.12 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.745 174.999 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.394 2.934 . . . . 0.0 105.876 177.969 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.798 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.492 176.611 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.95 28.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.133 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 178.434 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.73 38.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.303 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.498 -179.032 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.11 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.977 2.673 . . . . 0.0 108.9 178.323 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.393 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.98 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.419 4.824 . . . . 0.0 108.805 179.563 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.513 175.826 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.237 1 O-C-N 129.372 4.17 . . . . 0.0 108.081 -178.159 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.92 49.41 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.002 0.814 . . . . 0.0 112.572 -177.921 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.03 30.14 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.837 -2.345 . . . . 0.0 112.026 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.53 80.37 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.156 -1.59 . . . . 0.0 116.158 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.05 34.47 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.952 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.575 2.422 . . . . 0.0 105.993 176.165 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.93 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 127.599 3.062 . . . . 0.0 109.027 179.654 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.8 36.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.22 178.106 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.337 -2.268 . . . . 0.0 108.442 -179.167 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.21 44.43 Favored 'General case' 0 N--CA 1.498 1.964 1 O-C-N 129.193 4.058 . . . . 0.0 103.557 173.995 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 O-C-N 127.742 3.151 . . . . 0.0 111.255 -177.904 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.185 -2.28 . . . . 0.0 106.286 174.705 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.45 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.514 2.143 . . . . 0.0 111.933 177.719 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.873 -177.478 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.52 47.52 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.844 -179.016 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 O-C-N 127.166 2.791 . . . . 0.0 110.387 175.772 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.337 -0.852 . . . . 0.0 110.747 176.938 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.44 86.98 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.281 1.033 . . . . 0.0 111.544 -179.633 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.016 1.448 . . . . 0.0 109.285 178.492 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.41 Favored 'General case' 0 C--O 1.278 2.578 0 CA-C-N 118.002 0.364 . . . . 0.0 111.196 176.889 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 120.424 -1.422 . . . . 0.0 110.814 175.996 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.231 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.59 79.32 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.517 2.579 . . . . 0.0 109.007 179.488 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.56 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.38 17.95 Favored 'General case' 0 C--O 1.279 2.605 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -175.66 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.13 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 123.083 2.674 . . . . 0.0 113.926 179.82 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.13 Favored Glycine 0 CA--C 1.478 -2.248 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.535 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.021 179.686 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.92 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.169 2.579 . . . . 0.0 110.929 178.164 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.11 92.6 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.853 0.923 . . . . 0.0 113.434 -179.35 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.815 0 O-C-N 119.993 -1.692 . . . . 0.0 112.205 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.46 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.526 -1.359 . . . . 0.0 112.047 178.671 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.74 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.328 2.014 . . . . 0.0 115.64 -177.633 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.88 23.85 Favored 'General case' 0 C--O 1.295 3.49 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.107 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.436 1.016 . . . . 0.0 109.945 -177.502 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.145 1.528 . . . . 0.0 111.911 -177.51 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.66 18.92 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.478 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.99 19.45 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.282 -2.235 . . . . 0.0 110.764 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.58 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.34 2.876 . . . . 0.0 117.481 -179.534 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.711 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.534 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.39 37.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.011 -175.909 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 139.99 36.79 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 125.052 1.47 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.19 29.54 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.681 3.585 . . . . 0.0 120.681 -175.835 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.86 85.23 Favored Glycine 0 CA--C 1.492 -1.403 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.349 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.996 -1.885 . . . . 0.0 107.987 176.488 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.145 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.29 -36.21 79.44 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.16 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.16 -179.466 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.55 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.487 1.137 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.7 51.44 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.994 179.3 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.29 18.34 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 121.556 1.98 . . . . 0.0 111.169 179.822 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.062 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.838 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 126.059 2.1 . . . . 0.0 109.485 -176.816 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 15.9 ptmt -54.71 143.03 26.45 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.183 1.468 . . . . 0.0 109.239 -176.93 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.1 10.63 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.453 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.829 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.998 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.721 -2.562 . . . . 0.0 105.714 175.005 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.946 . . . . 0.0 105.921 177.913 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.839 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.493 176.644 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.107 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.136 0.493 . . . . 0.0 109.856 178.464 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.06 37.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.274 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.487 -179.916 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 127.011 2.694 . . . . 0.0 108.914 178.336 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.396 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.45 4.843 . . . . 0.0 108.755 179.591 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.525 175.784 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.2 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.381 4.176 . . . . 0.0 108.058 -178.161 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.92 49.46 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.055 0.847 . . . . 0.0 112.59 -177.939 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.805 -2.358 . . . . 0.0 111.956 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.51 80.33 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.183 -1.573 . . . . 0.0 116.149 179.771 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.04 34.49 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 175.021 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.74 55.34 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.595 2.434 . . . . 0.0 106.034 176.117 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.42 141.98 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.611 3.069 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.207 -1.797 . . . . 0.0 108.239 178.123 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.02 44.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.419 -179.184 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.24 44.5 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.172 4.045 . . . . 0.0 103.549 174.015 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.145 0 O-C-N 127.712 3.132 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.7 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.146 -2.297 . . . . 0.0 106.335 174.709 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.552 2.168 . . . . 0.0 111.961 177.725 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.903 -177.524 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.814 -179.032 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.41 21.21 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.708 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 O-C-N 127.198 2.811 . . . . 0.0 110.385 175.738 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.46 79.0 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.367 -0.833 . . . . 0.0 110.727 177.012 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.01 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.303 1.041 . . . . 0.0 111.564 -179.671 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.094 1.496 . . . . 0.0 109.34 178.493 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.99 83.9 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.766 -179.8 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 117.989 0.359 . . . . 0.0 111.231 176.883 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.362 -1.461 . . . . 0.0 110.801 176.017 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.52 77.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.47 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.522 2.582 . . . . 0.0 109.022 179.439 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.64 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.748 179.163 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.43 17.91 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -175.667 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.51 -6.4 8.13 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 123.147 2.703 . . . . 0.0 113.936 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.326 0 N-CA-C 118.899 2.319 . . . . 0.0 118.899 176.554 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.88 83.25 Favored Pre-proline 0 C--O 1.242 0.704 0 C-N-CA 118.83 -1.148 . . . . 0.0 111.013 179.693 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.6 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.128 2.552 . . . . 0.0 110.952 178.153 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.261 1.67 0 C-N-CA 120.707 0.938 . . . . 0.0 113.392 -179.349 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.61 63.65 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 120.002 -1.686 . . . . 0.0 112.179 -177.387 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.78 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.463 -1.398 . . . . 0.0 112.058 178.669 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.78 34.77 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.323 2.011 . . . . 0.0 115.625 -177.651 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.92 23.88 Favored 'General case' 0 C--O 1.296 3.523 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 172.103 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.29 51.03 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.479 1.036 . . . . 0.0 110.016 -177.566 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 125.159 1.537 . . . . 0.0 111.927 -177.503 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.69 18.99 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.504 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.94 19.45 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.757 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 128.43 2.919 . . . . 0.0 117.459 -179.506 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 177.673 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.576 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.003 -175.898 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.94 36.81 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.077 1.486 . . . . 0.0 109.952 -177.739 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.22 29.61 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.833 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.491 -1.434 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 -177.357 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.987 -1.89 . . . . 0.0 107.979 176.516 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.145 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.175 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.6 70.78 Favored 'General case' 0 C--O 1.268 2.073 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.182 -179.484 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.489 1.138 . . . . 0.0 110.736 179.729 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 117.65 -1.167 . . . . 0.0 112.953 179.325 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.42 18.51 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 121.555 1.979 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.173 175.819 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.521 -176.859 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.78 143.05 26.69 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.199 1.476 . . . . 0.0 109.301 -176.946 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.16 10.65 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 179.483 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.51 34.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.832 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.983 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.666 -2.587 . . . . 0.0 105.714 175.054 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.7 46.5 Favored 'General case' 0 C--N 1.285 -2.231 0 O-C-N 127.455 2.972 . . . . 0.0 105.902 177.916 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.772 0 CA-C-O 117.617 -1.182 . . . . 0.0 111.549 176.564 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.94 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.16 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.119 0.485 . . . . 0.0 109.875 178.435 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.476 -179.292 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.978 2.674 . . . . 0.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.393 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.645 1 O-C-N 130.475 4.859 . . . . 0.0 108.761 179.583 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.389 -3.195 . . . . 0.0 105.506 175.814 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.49 41.19 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.372 4.17 . . . . 0.0 108.059 -178.167 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.76 8.37 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.87 49.23 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.054 0.846 . . . . 0.0 112.555 -177.937 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.03 30.13 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.774 -2.371 . . . . 0.0 111.968 179.972 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.39 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.109 -1.619 . . . . 0.0 116.092 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.959 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.76 55.35 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.611 2.445 . . . . 0.0 105.99 176.179 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.98 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 127.64 3.088 . . . . 0.0 109.033 179.651 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.25 178.147 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.03 44.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.333 -2.27 . . . . 0.0 108.463 -179.19 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.43 Favored 'General case' 0 N--CA 1.499 1.986 1 O-C-N 129.182 4.051 . . . . 0.0 103.567 173.973 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.206 0 O-C-N 127.691 3.119 . . . . 0.0 111.214 -177.883 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.46 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.335 174.673 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.4 39.19 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.564 2.176 . . . . 0.0 111.957 177.727 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.16 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.88 -177.496 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.52 47.5 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.836 -179.032 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.4 21.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.726 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.217 2.823 . . . . 0.0 110.327 175.805 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.428 -0.795 . . . . 0.0 110.769 176.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.47 86.76 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.292 1.037 . . . . 0.0 111.543 -179.633 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.42 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.1 1.5 . . . . 0.0 109.375 178.459 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -38.0 83.88 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.646 0 CA-C-N 118.01 0.368 . . . . 0.0 111.211 176.856 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 120.339 -1.476 . . . . 0.0 110.838 176.016 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.47 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.887 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.36 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.5 2.571 . . . . 0.0 109.036 179.439 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.75 179.114 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.31 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.667 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.102 2.683 . . . . 0.0 113.96 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.33 90.13 Favored Glycine 0 CA--C 1.478 -2.242 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.542 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.85 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.162 2.575 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.19 92.62 Favored 'Trans proline' 0 C--O 1.261 1.675 0 C-N-CA 120.678 0.918 . . . . 0.0 113.397 -179.326 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 120.007 -1.683 . . . . 0.0 112.188 -177.435 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.44 29.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.494 -1.379 . . . . 0.0 112.035 178.706 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 124.332 2.015 . . . . 0.0 115.627 -177.646 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.512 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 172.079 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.31 50.99 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.454 1.024 . . . . 0.0 109.989 -177.57 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 O-C-N 125.144 1.528 . . . . 0.0 111.881 -177.509 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 177.538 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.95 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.313 -2.221 . . . . 0.0 110.752 177.369 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.54 61.05 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.413 2.911 . . . . 0.0 117.504 -179.5 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.702 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.79 130.3 34.59 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.571 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.693 -1.146 . . . . 0.0 110.026 -175.925 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 125.084 1.49 . . . . 0.0 109.931 -177.746 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.4 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 120.729 3.603 . . . . 0.0 120.729 -175.817 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.88 85.23 Favored Glycine 0 CA--C 1.492 -1.401 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.307 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.994 -1.886 . . . . 0.0 107.984 176.532 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.076 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.23 79.42 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.181 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.005 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.154 -179.494 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.26 70.51 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.457 1.123 . . . . 0.0 110.703 179.772 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.72 51.4 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.025 179.293 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.54 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.525 1.966 . . . . 0.0 111.179 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.114 -2.374 . . . . 0.0 106.198 175.833 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 126.082 2.113 . . . . 0.0 109.532 -176.809 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 143.08 26.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.183 1.468 . . . . 0.0 109.28 -176.96 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.19 10.66 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 179.473 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.843 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.69 52.1 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.008 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.715 175.047 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.42 Favored 'General case' 0 C--N 1.285 -2.205 0 O-C-N 127.471 2.982 . . . . 0.0 105.885 177.931 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.494 176.602 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.08 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 175.127 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.178 0.513 . . . . 0.0 109.815 178.456 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.515 179.506 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 126.943 2.652 . . . . 0.0 108.909 178.302 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.0 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.667 173.365 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.654 1 O-C-N 130.461 4.85 . . . . 0.0 108.746 179.565 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 175.797 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.23 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.399 4.187 . . . . 0.0 108.068 -178.184 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.74 8.4 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.98 49.75 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.063 0.852 . . . . 0.0 112.585 -177.962 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 115.794 -2.362 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.48 80.36 Favored Glycine 0 C--N 1.298 -1.571 0 O-C-N 120.135 -1.603 . . . . 0.0 116.126 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.05 34.43 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 174.979 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.584 2.427 . . . . 0.0 106.031 176.158 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.568 3.043 . . . . 0.0 109.04 179.649 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.224 -1.79 . . . . 0.0 108.234 178.116 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 153.98 44.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.465 -179.182 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.41 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.241 4.088 . . . . 0.0 103.55 174.025 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.672 3.108 . . . . 0.0 111.231 -177.876 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.65 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.345 174.688 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.48 39.58 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 C-N-CA 122.6 2.2 . . . . 0.0 111.949 177.703 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.07 59.09 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.889 -177.481 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.15 148.53 47.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 117.387 -1.725 . . . . 0.0 109.89 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.45 21.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.717 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 127.174 2.796 . . . . 0.0 110.428 175.708 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.05 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.419 -0.801 . . . . 0.0 110.741 176.98 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.15 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.306 1.043 . . . . 0.0 111.562 -179.627 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.42 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.094 1.496 . . . . 0.0 109.331 178.478 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.75 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.975 0.352 . . . . 0.0 111.226 176.871 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.378 -1.451 . . . . 0.0 110.799 176.033 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.46 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.922 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.62 79.21 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 125.543 2.592 . . . . 0.0 108.994 179.514 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.71 66.46 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.763 179.149 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.4 17.93 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.014 2.228 . . . . 0.0 117.014 -175.677 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.44 8.1 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.064 2.665 . . . . 0.0 113.974 179.834 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.35 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.921 2.328 . . . . 0.0 118.921 176.542 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.814 -1.154 . . . . 0.0 111.032 179.692 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.33 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.148 2.565 . . . . 0.0 110.942 178.179 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.15 92.6 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.862 0.927 . . . . 0.0 113.439 -179.362 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.974 -1.704 . . . . 0.0 112.213 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.511 -1.368 . . . . 0.0 112.02 178.743 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.288 1.994 . . . . 0.0 115.616 -177.632 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.9 23.88 Favored 'General case' 0 C--O 1.296 3.526 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.097 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.481 1.037 . . . . 0.0 109.966 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.138 1.524 . . . . 0.0 111.914 -177.496 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.66 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 177.513 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.02 19.55 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.793 177.412 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.93 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.343 2.877 . . . . 0.0 117.522 -179.51 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.705 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.2 34.62 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.46 138.37 37.56 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.011 -175.891 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.01 36.76 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.112 1.508 . . . . 0.0 109.951 -177.731 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.23 29.83 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.808 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.83 85.32 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 116.108 1.203 . . . . 0.0 116.108 -177.32 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.056 -1.849 . . . . 0.0 107.983 176.522 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.55 11.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.125 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.27 79.33 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.135 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.56 70.74 Favored 'General case' 0 C--O 1.267 2.008 0 C-N-CA 117.311 -1.755 . . . . 0.0 112.161 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.32 70.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.454 1.121 . . . . 0.0 110.733 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.636 -1.173 . . . . 0.0 112.927 179.321 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.4 18.35 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 121.607 2.003 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.41 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.142 175.825 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.075 2.109 . . . . 0.0 109.522 -176.876 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.67 143.06 26.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.273 1.511 . . . . 0.0 109.206 -176.867 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.84 19.23 10.69 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.748 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.13 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.974 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.701 174.999 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.57 135.78 46.35 Favored 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.411 2.945 . . . . 0.0 105.863 177.926 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.82 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.493 176.574 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.99 28.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 175.095 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.202 0.525 . . . . 0.0 109.836 178.47 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.3 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.635 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.73 37.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.635 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.495 173.33 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 127.006 2.691 . . . . 0.0 108.908 178.286 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.359 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.441 4.838 . . . . 0.0 108.82 179.541 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.17 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.489 175.874 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.49 41.17 Favored 'General case' 0 N--CA 1.504 2.259 1 O-C-N 129.403 4.189 . . . . 0.0 108.086 -178.191 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.76 8.37 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.95 49.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.064 0.853 . . . . 0.0 112.626 -177.982 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.859 -2.336 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.47 80.3 Favored Glycine 0 C--N 1.297 -1.599 0 O-C-N 120.163 -1.586 . . . . 0.0 116.109 179.75 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.03 34.46 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.94 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.605 2.441 . . . . 0.0 106.046 176.116 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 127.636 3.085 . . . . 0.0 109.014 179.708 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.236 178.098 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.447 -179.208 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.218 4.074 . . . . 0.0 103.572 174.003 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 O-C-N 127.701 3.125 . . . . 0.0 111.199 -177.854 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.202 -2.272 . . . . 0.0 106.289 174.728 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.531 2.154 . . . . 0.0 111.932 177.702 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.1 59.15 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.889 -177.455 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.51 47.53 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.332 -1.747 . . . . 0.0 109.887 -179.079 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.44 21.21 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 175.717 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.192 2.807 . . . . 0.0 110.37 175.746 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.382 -0.824 . . . . 0.0 110.749 176.984 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.87 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.286 1.035 . . . . 0.0 111.574 -179.668 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.037 1.46 . . . . 0.0 109.308 178.479 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.92 83.75 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.95 86.87 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.997 0.362 . . . . 0.0 111.187 176.883 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.23 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.412 -1.43 . . . . 0.0 110.773 176.029 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.53 77.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.951 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.58 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.481 2.562 . . . . 0.0 109.039 179.458 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.74 66.63 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.777 179.091 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.651 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -175.635 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 123.139 2.7 . . . . 0.0 113.965 179.811 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.501 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.81 83.4 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.802 -1.159 . . . . 0.0 111.033 179.675 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.183 2.589 . . . . 0.0 110.916 178.2 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.09 92.67 Favored 'Trans proline' 0 C--O 1.261 1.674 0 O-C-N 122.907 0.951 . . . . 0.0 113.438 -179.34 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 119.96 -1.713 . . . . 0.0 112.22 -177.485 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.45 28.86 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.553 -1.342 . . . . 0.0 112.04 178.715 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.293 1.996 . . . . 0.0 115.668 -177.667 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.97 23.98 Favored 'General case' 0 C--O 1.295 3.484 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.122 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 119.41 1.004 . . . . 0.0 109.991 -177.545 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.133 1.521 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.567 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.753 177.355 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.52 60.95 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 128.399 2.904 . . . . 0.0 117.526 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.7 46.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.698 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.26 1.605 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.587 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.016 -175.858 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.92 140.01 36.78 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.745 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.23 29.23 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.803 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.92 85.17 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.148 1.219 . . . . 0.0 116.148 -177.379 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.58 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.979 -1.895 . . . . 0.0 108.015 176.513 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.131 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.103 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.053 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.145 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.54 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.503 1.144 . . . . 0.0 110.76 179.73 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.67 51.46 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 112.967 179.309 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.55 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 121.521 1.964 . . . . 0.0 111.187 179.857 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.37 30.22 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-O 115.089 -2.386 . . . . 0.0 106.192 175.851 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.35 169.53 8.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.152 2.157 . . . . 0.0 109.528 -176.844 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 22.6 pttp -54.79 143.08 26.62 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.184 1.469 . . . . 0.0 109.285 -176.938 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.16 10.66 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.813 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.72 52.2 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.669 175.989 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.61 19.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.659 -2.591 . . . . 0.0 105.711 175.027 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.462 2.976 . . . . 0.0 105.904 177.924 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.507 176.573 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.132 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.164 0.507 . . . . 0.0 109.836 178.421 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.271 0 CA-C-O 113.356 -3.211 . . . . 0.0 105.492 179.436 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.993 2.683 . . . . 0.0 108.894 178.346 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 173.396 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.652 1 O-C-N 130.444 4.84 . . . . 0.0 108.777 179.569 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.51 175.824 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.396 4.185 . . . . 0.0 108.01 -178.156 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.72 8.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.64 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.026 0.829 . . . . 0.0 112.62 -177.954 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.814 -2.354 . . . . 0.0 111.989 179.952 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.53 80.36 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.09 -1.631 . . . . 0.0 116.122 179.761 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.02 34.49 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.997 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.612 2.445 . . . . 0.0 106.037 176.144 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.613 3.07 . . . . 0.0 109.036 179.671 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.79 36.63 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.217 -1.793 . . . . 0.0 108.241 178.136 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.31 -2.281 . . . . 0.0 108.481 -179.164 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.219 4.075 . . . . 0.0 103.573 173.999 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.153 0 O-C-N 127.736 3.147 . . . . 0.0 111.231 -177.929 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.49 37.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.314 174.707 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.5 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 122.52 2.147 . . . . 0.0 111.936 177.746 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.16 59.12 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.899 -177.523 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.6 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 117.389 -1.724 . . . . 0.0 109.852 -179.032 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.722 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.28 -37.27 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.226 2.829 . . . . 0.0 110.424 175.735 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.42 79.21 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.321 -0.862 . . . . 0.0 110.756 176.983 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.5 87.04 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.281 1.032 . . . . 0.0 111.52 -179.661 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.43 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.044 1.465 . . . . 0.0 109.309 178.511 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.98 83.72 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.13 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.028 0.376 . . . . 0.0 111.213 176.875 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.472 -1.392 . . . . 0.0 110.816 175.999 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.51 77.64 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.932 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.59 79.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.484 2.564 . . . . 0.0 108.992 179.489 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.76 66.37 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.711 -1.586 . . . . 0.0 111.772 179.102 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.46 17.93 Favored 'General case' 0 C--O 1.28 2.676 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.666 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.39 8.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 123.081 2.673 . . . . 0.0 113.939 179.801 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.31 90.14 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.518 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.41 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.029 179.683 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.99 80.01 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.164 2.576 . . . . 0.0 110.96 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.14 92.78 Favored 'Trans proline' 0 C--O 1.262 1.703 0 O-C-N 122.865 0.929 . . . . 0.0 113.439 -179.334 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.915 -1.741 . . . . 0.0 112.219 -177.43 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.474 -1.391 . . . . 0.0 112.039 178.671 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.344 2.021 . . . . 0.0 115.626 -177.676 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.96 23.96 Favored 'General case' 0 C--O 1.296 3.52 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.113 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.24 51.02 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.471 1.032 . . . . 0.0 109.931 -177.495 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 125.168 1.543 . . . . 0.0 111.892 -177.518 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 177.554 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.79 177.388 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.61 61.17 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 128.365 2.888 . . . . 0.0 117.488 -179.525 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.677 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.23 34.61 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 174.562 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.041 -175.868 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 125.029 1.456 . . . . 0.0 109.938 -177.691 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.27 29.57 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.819 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.85 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.119 1.207 . . . . 0.0 116.119 -177.353 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.53 17.08 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.053 -1.851 . . . . 0.0 107.993 176.48 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.15 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 117.344 -1.742 . . . . 0.0 112.176 -179.482 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.29 70.52 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.475 1.131 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.68 51.47 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.01 179.226 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.38 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 121.55 1.977 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.208 175.79 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.034 2.084 . . . . 0.0 109.528 -176.846 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -54.78 143.05 26.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.195 1.474 . . . . 0.0 109.268 -176.889 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.45 34.68 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.838 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.12 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.938 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.72 175.034 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.8 46.39 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 127.422 2.951 . . . . 0.0 105.888 177.927 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.516 176.609 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.155 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.496 . . . . 0.0 109.842 178.421 . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.14 34.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.254 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.502 -179.573 . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.922 2.639 . . . . 0.0 108.946 178.268 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.673 173.404 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.642 1 O-C-N 130.473 4.858 . . . . 0.0 108.82 179.586 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.496 175.834 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.25 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.39 4.181 . . . . 0.0 108.029 -178.166 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.832 -1.08 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.53 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.054 0.846 . . . . 0.0 112.607 -177.969 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.001 179.95 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.51 80.28 Favored Glycine 0 C--N 1.298 -1.545 0 O-C-N 120.08 -1.637 . . . . 0.0 116.169 179.756 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.984 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.623 2.452 . . . . 0.0 105.989 176.185 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.02 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.607 3.067 . . . . 0.0 109.059 179.647 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.8 36.62 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 117.275 -1.77 . . . . 0.0 108.196 178.128 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.0 44.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.475 -179.225 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.156 4.035 . . . . 0.0 103.565 174.037 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.64 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.747 3.155 . . . . 0.0 111.193 -177.888 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.61 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.099 -2.319 . . . . 0.0 106.345 174.664 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.29 Favored 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 122.584 2.19 . . . . 0.0 111.934 177.699 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.913 -177.522 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.48 47.57 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.319 -1.752 . . . . 0.0 109.88 -179.049 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.4 21.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.69 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.164 2.79 . . . . 0.0 110.358 175.8 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.46 79.12 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.343 -0.848 . . . . 0.0 110.756 177.008 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.12 Favored 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.274 1.03 . . . . 0.0 111.501 -179.653 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 125.1 1.5 . . . . 0.0 109.333 178.501 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.98 83.94 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.797 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.07 87.28 Favored 'General case' 0 C--O 1.279 2.62 0 CA-C-N 117.973 0.352 . . . . 0.0 111.243 176.884 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.01 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 120.416 -1.427 . . . . 0.0 110.756 176.006 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.43 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.211 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.61 79.24 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.552 2.596 . . . . 0.0 109.028 179.456 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.74 66.39 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.734 179.124 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.36 17.95 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.645 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.097 2.68 . . . . 0.0 113.96 179.802 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 118.892 2.317 . . . . 0.0 118.892 176.513 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.006 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.127 2.551 . . . . 0.0 110.921 178.194 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.63 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.886 0.94 . . . . 0.0 113.44 -179.35 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.922 -1.736 . . . . 0.0 112.226 -177.471 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.5 28.88 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.515 -1.366 . . . . 0.0 112.07 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.287 1.994 . . . . 0.0 115.664 -177.656 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.03 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 172.092 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.21 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.427 1.012 . . . . 0.0 110.016 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.165 1.54 . . . . 0.0 111.925 -177.46 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.03 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.496 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.04 19.22 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.778 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.66 60.96 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.311 2.863 . . . . 0.0 117.517 -179.511 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.35 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.701 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 174.513 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.45 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.019 -175.857 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.035 1.459 . . . . 0.0 109.977 -177.724 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.82 Favored 'General case' 0 C--O 1.266 1.935 0 N-CA-C 120.7 3.592 . . . . 0.0 120.7 -175.799 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.84 85.31 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.61 16.96 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.035 -1.862 . . . . 0.0 108.009 176.506 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.58 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.128 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.21 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.269 2.082 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.143 -179.481 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.26 70.66 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.498 1.142 . . . . 0.0 110.732 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.64 51.56 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.992 179.255 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.36 18.27 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.589 1.995 . . . . 0.0 111.211 179.882 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.164 175.815 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.037 2.086 . . . . 0.0 109.51 -176.81 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.77 143.07 26.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 123.182 1.468 . . . . 0.0 109.283 -176.936 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 179.462 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.794 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.15 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.0 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.63 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.72 -2.562 . . . . 0.0 105.707 175.006 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.83 46.27 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.44 2.962 . . . . 0.0 105.909 177.92 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.541 176.574 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.128 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.209 0.528 . . . . 0.0 109.827 178.455 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.98 40.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.461 179.525 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 126.979 2.674 . . . . 0.0 108.906 178.32 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.04 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.28 0 N-CA-C 105.628 -1.989 . . . . 0.0 105.628 173.384 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.19 49.47 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.467 4.854 . . . . 0.0 108.786 179.57 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.17 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.492 175.858 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.22 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.424 4.203 . . . . 0.0 108.055 -178.165 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.95 49.6 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 124.097 0.873 . . . . 0.0 112.588 -177.926 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.825 -2.35 . . . . 0.0 111.981 179.962 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.5 80.3 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.089 -1.632 . . . . 0.0 116.14 179.755 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.983 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.585 2.428 . . . . 0.0 106.048 176.187 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.05 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.567 3.042 . . . . 0.0 109.085 179.692 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.81 36.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.269 178.139 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.01 44.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.428 -179.159 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.24 44.51 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.225 4.078 . . . . 0.0 103.578 173.972 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.719 3.137 . . . . 0.0 111.182 -177.87 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.355 174.663 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.38 39.2 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 C-N-CA 122.564 2.176 . . . . 0.0 111.921 177.699 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.96 -8.14 59.17 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.852 -177.44 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.47 47.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.89 -179.065 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.4 21.29 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 O-C-N 127.136 2.772 . . . . 0.0 110.373 175.751 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.4 79.29 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.378 -0.826 . . . . 0.0 110.727 176.96 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.51 86.64 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 124.367 1.067 . . . . 0.0 111.509 -179.652 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.42 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.119 1.512 . . . . 0.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.93 83.59 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.733 -179.739 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.02 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.984 0.356 . . . . 0.0 111.243 176.888 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.395 -1.441 . . . . 0.0 110.819 175.984 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.913 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.64 79.17 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 125.503 2.573 . . . . 0.0 108.994 179.511 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.69 66.48 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.776 179.103 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -175.65 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 123.133 2.697 . . . . 0.0 113.949 179.828 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.35 90.13 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.879 2.312 . . . . 0.0 118.879 176.51 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.83 83.31 Favored Pre-proline 0 C--O 1.243 0.726 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.988 179.726 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.94 79.5 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.187 2.592 . . . . 0.0 110.902 178.189 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.19 92.86 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 122.841 0.916 . . . . 0.0 113.465 -179.376 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 119.93 -1.731 . . . . 0.0 112.213 -177.465 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.43 28.9 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.527 -1.358 . . . . 0.0 112.08 178.686 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 124.286 1.993 . . . . 0.0 115.636 -177.64 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.91 23.89 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.3 50.99 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.464 1.029 . . . . 0.0 109.994 -177.572 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.181 1.55 . . . . 0.0 111.871 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.69 18.99 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 177.457 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.29 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.768 177.38 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.62 61.01 Favored Glycine 0 N--CA 1.433 -1.528 0 C-N-CA 128.339 2.876 . . . . 0.0 117.52 -179.448 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.71 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.3 34.59 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.608 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.078 -175.956 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.74 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.031 1.457 . . . . 0.0 109.945 -177.691 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.3 29.13 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.725 3.602 . . . . 0.0 120.725 -175.823 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.81 -8.89 85.28 Favored Glycine 0 CA--C 1.491 -1.412 0 N-CA-C 116.099 1.199 . . . . 0.0 116.099 -177.315 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.55 17.02 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 120.007 -1.878 . . . . 0.0 107.991 176.547 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.083 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.27 79.36 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.174 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.316 -1.753 . . . . 0.0 112.164 -179.486 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.67 -39.24 70.66 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.478 1.132 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.004 179.269 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.37 18.48 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 121.566 1.984 . . . . 0.0 111.208 179.901 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.39 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.045 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.182 175.827 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.122 2.139 . . . . 0.0 109.489 -176.821 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.8 143.06 26.74 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 123.215 1.483 . . . . 0.0 109.287 -176.917 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.494 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.788 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.67 52.11 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.969 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.677 -2.582 . . . . 0.0 105.715 175.027 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.75 46.42 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.445 2.966 . . . . 0.0 105.88 177.909 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.87 30.94 Favored 'General case' 0 C--O 1.281 2.761 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.494 176.586 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.88 28.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.142 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.213 0.53 . . . . 0.0 109.824 178.466 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.04 39.58 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.291 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.527 -177.126 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 126.972 2.67 . . . . 0.0 108.952 178.32 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.413 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.461 4.851 . . . . 0.0 108.77 179.593 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.51 41.29 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.405 4.19 . . . . 0.0 108.045 -178.177 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.92 49.39 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.001 0.813 . . . . 0.0 112.606 -177.945 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.96 30.34 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.787 -2.365 . . . . 0.0 111.958 179.981 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.5 80.36 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.123 -1.611 . . . . 0.0 116.101 179.725 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.03 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 174.994 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.78 55.37 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.613 2.445 . . . . 0.0 106.032 176.134 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.603 3.064 . . . . 0.0 109.014 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.221 178.091 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.14 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.391 -179.18 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.0 1 O-C-N 129.211 4.07 . . . . 0.0 103.596 173.978 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 O-C-N 127.717 3.136 . . . . 0.0 111.222 -177.912 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.297 174.702 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.51 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 122.562 2.175 . . . . 0.0 111.947 177.699 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.09 59.09 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.867 -177.509 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.45 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.43 21.28 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.708 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.32 -37.25 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.167 2.792 . . . . 0.0 110.354 175.765 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.348 -0.845 . . . . 0.0 110.722 176.98 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.367 1.067 . . . . 0.0 111.518 -179.636 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.043 1.465 . . . . 0.0 109.279 178.534 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.94 83.7 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.761 -179.773 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.08 87.19 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 118.014 0.37 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.401 0 O-C-N 120.375 -1.453 . . . . 0.0 110.792 175.988 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.47 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.62 79.26 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.548 2.594 . . . . 0.0 109.006 179.493 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.71 66.52 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.73 179.201 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.43 17.94 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.676 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.151 2.705 . . . . 0.0 113.911 179.858 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.856 2.302 . . . . 0.0 118.856 176.535 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.89 83.21 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.007 179.718 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.87 79.23 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.116 2.544 . . . . 0.0 110.937 178.208 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.25 92.8 Favored 'Trans proline' 0 C--O 1.261 1.667 0 O-C-N 122.868 0.931 . . . . 0.0 113.452 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.93 -1.731 . . . . 0.0 112.182 -177.43 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.49 28.9 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.518 -1.364 . . . . 0.0 112.022 178.714 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.341 2.02 . . . . 0.0 115.627 -177.662 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.93 23.95 Favored 'General case' 0 C--O 1.295 3.472 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.135 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.451 1.023 . . . . 0.0 109.991 -177.605 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.139 1.524 . . . . 0.0 111.888 -177.491 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.69 18.95 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.496 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.0 19.5 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.185 -2.279 . . . . 0.0 110.764 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.371 2.891 . . . . 0.0 117.513 -179.464 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.652 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.57 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.555 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.032 -175.904 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.11 1.506 . . . . 0.0 109.957 -177.708 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.59 Favored 'General case' 0 C--O 1.265 1.909 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.841 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.96 85.14 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 116.133 1.213 . . . . 0.0 116.133 -177.367 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.52 17.11 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 119.994 -1.886 . . . . 0.0 107.944 176.504 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.65 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 177.128 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.18 79.26 Favored 'General case' 0 C--O 1.202 -1.433 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.182 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.67 70.82 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.157 -179.489 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.31 70.46 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.43 1.109 . . . . 0.0 110.71 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.67 51.48 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 117.637 -1.173 . . . . 0.0 112.978 179.282 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.33 18.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.574 1.988 . . . . 0.0 111.223 179.867 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.39 30.25 Favored 'Isoleucine or valine' 0 C--O 1.268 2.07 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.136 175.88 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.063 2.102 . . . . 0.0 109.552 -176.901 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.446 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 9.0 ptmm? -54.69 143.05 26.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.244 1.497 . . . . 0.0 109.279 -176.913 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.469 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.53 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.766 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.919 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.76 -2.543 . . . . 0.0 105.694 174.988 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.397 2.936 . . . . 0.0 105.913 177.909 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.99 115.74 30.72 Favored 'General case' 0 C--O 1.283 2.834 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.555 176.568 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 175.142 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.214 0.531 . . . . 0.0 109.806 178.422 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.02 35.74 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -107.31 122.09 45.86 Favored 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.488 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 125.793 1.933 . . . . 0.0 109.83 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 53.94 179.7 0.03 OUTLIER 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.802 -1.544 . . . . 0.0 108.814 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.61 -175.27 45.11 Favored Glycine 0 C--O 1.243 0.676 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.014 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.415 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.414 179.202 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.995 2.684 . . . . 0.0 108.923 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.681 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.42 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.523 4.889 . . . . 0.0 108.807 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.466 -3.159 . . . . 0.0 105.484 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.24 Favored 'General case' 0 N--CA 1.504 2.247 1 O-C-N 129.335 4.147 . . . . 0.0 108.085 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.775 -1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.106 0.879 . . . . 0.0 112.57 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.048 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.46 80.36 Favored Glycine 0 C--N 1.298 -1.532 0 O-C-N 120.068 -1.645 . . . . 0.0 116.115 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.634 2.459 . . . . 0.0 106.052 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.648 3.092 . . . . 0.0 109.033 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.7 36.77 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.219 -1.792 . . . . 0.0 108.208 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.03 44.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.427 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.235 4.084 . . . . 0.0 103.558 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.688 3.118 . . . . 0.0 111.237 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.4 38.93 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 122.549 2.166 . . . . 0.0 111.973 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.18 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.934 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.354 -1.738 . . . . 0.0 109.911 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.45 21.2 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.33 -37.21 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.218 2.824 . . . . 0.0 110.344 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.4 79.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.54 86.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 124.325 1.05 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.25 -46.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.077 1.486 . . . . 0.0 109.305 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.98 83.85 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.763 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.03 87.17 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 117.985 0.357 . . . . 0.0 111.214 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 120.388 -1.445 . . . . 0.0 110.785 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.63 79.11 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.495 2.569 . . . . 0.0 109.016 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.71 66.36 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.661 -1.609 . . . . 0.0 111.772 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.49 17.93 Favored 'General case' 0 C--O 1.279 2.631 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 123.108 2.685 . . . . 0.0 113.978 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.288 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.38 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.853 -1.139 . . . . 0.0 111.007 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.73 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.14 2.56 . . . . 0.0 110.939 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.66 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.858 0.925 . . . . 0.0 113.407 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.51 28.87 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.453 -1.404 . . . . 0.0 112.079 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 124.292 1.996 . . . . 0.0 115.606 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.99 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.422 1.01 . . . . 0.0 109.936 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.098 1.499 . . . . 0.0 111.906 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.67 18.9 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.766 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.57 60.92 Favored Glycine 0 N--CA 1.433 -1.556 0 C-N-CA 128.386 2.898 . . . . 0.0 117.514 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.37 37.43 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.688 -1.149 . . . . 0.0 110.048 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.04 36.68 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.117 1.51 . . . . 0.0 109.953 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.14 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.94 85.15 Favored Glycine 0 CA--C 1.493 -1.337 0 N-CA-C 116.093 1.197 . . . . 0.0 116.093 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.51 17.12 Favored 'General case' 0 C--O 1.251 1.136 0 O-C-N 120.051 -1.853 . . . . 0.0 108.001 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.25 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.362 -1.735 . . . . 0.0 112.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.3 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.469 1.128 . . . . 0.0 110.721 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.77 51.27 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.27 18.6 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.538 1.972 . . . . 0.0 111.208 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.38 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.057 0 CA-C-O 115.154 -2.355 . . . . 0.0 106.209 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.044 2.09 . . . . 0.0 109.521 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -54.72 143.04 26.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.18 1.467 . . . . 0.0 109.245 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.15 10.64 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.28 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.64 19.12 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.46 Favored 'General case' 0 C--N 1.285 -2.203 0 O-C-N 127.456 2.973 . . . . 0.0 105.882 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.854 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.53 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.212 0.53 . . . . 0.0 109.807 178.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.452 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.57 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.11 36.94 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -121.15 118.3 29.33 Favored 'General case' 0 C--O 1.271 2.214 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.505 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -63.99 -39.14 93.44 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 125.798 1.936 . . . . 0.0 109.802 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 89.65 -0.69 0.3 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.85 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.98 -130.7 40.58 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 114.618 -1.174 . . . . 0.0 115.102 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 CA-C-O 116.35 -2.361 . . . . 0.0 108.38 179.304 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.941 2.651 . . . . 0.0 108.883 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.47 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 130.445 4.84 . . . . 0.0 108.74 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.472 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.242 1 O-C-N 129.366 4.166 . . . . 0.0 108.098 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.96 49.67 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.006 0.816 . . . . 0.0 112.608 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.18 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.819 -2.352 . . . . 0.0 111.993 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.5 80.29 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.098 -1.626 . . . . 0.0 116.133 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.1 34.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.602 2.439 . . . . 0.0 106.026 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.02 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 127.555 3.035 . . . . 0.0 109.072 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.53 139.76 36.75 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.2 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.364 -2.255 . . . . 0.0 108.472 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.19 4.056 . . . . 0.0 103.533 174.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 O-C-N 127.713 3.133 . . . . 0.0 111.177 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.45 37.58 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.281 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.47 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 122.509 2.14 . . . . 0.0 111.986 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.889 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.312 -1.755 . . . . 0.0 109.863 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 127.218 2.824 . . . . 0.0 110.397 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.342 -0.849 . . . . 0.0 110.694 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.43 86.96 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.34 1.056 . . . . 0.0 111.486 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.41 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.054 1.471 . . . . 0.0 109.326 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.93 83.72 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.785 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.34 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 117.979 0.354 . . . . 0.0 111.212 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.387 0 O-C-N 120.413 -1.429 . . . . 0.0 110.791 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.43 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 125.518 2.58 . . . . 0.0 109.022 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.67 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.711 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.94 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.3 8.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.071 2.669 . . . . 0.0 113.972 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.35 90.16 Favored Glycine 0 CA--C 1.478 -2.243 0 N-CA-C 118.904 2.321 . . . . 0.0 118.904 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.81 83.44 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.754 -1.178 . . . . 0.0 110.981 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.156 2.571 . . . . 0.0 110.908 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.12 92.63 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.88 0.937 . . . . 0.0 113.443 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 119.975 -1.703 . . . . 0.0 112.198 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.42 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.513 -1.367 . . . . 0.0 112.01 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.282 1.991 . . . . 0.0 115.573 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.18 115.93 23.98 Favored 'General case' 0 C--O 1.296 3.54 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.27 50.95 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 119.456 1.025 . . . . 0.0 109.951 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 125.174 1.546 . . . . 0.0 111.955 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.02 19.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.267 -2.242 . . . . 0.0 110.758 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.87 21.47 61.11 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 128.378 2.894 . . . . 0.0 117.466 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.28 34.61 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.44 37.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.038 -175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 125.079 1.487 . . . . 0.0 109.956 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.26 29.21 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 120.689 3.588 . . . . 0.0 120.689 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.92 85.2 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.096 1.198 . . . . 0.0 116.096 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.006 -1.879 . . . . 0.0 108.009 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.185 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.29 70.73 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.458 1.123 . . . . 0.0 110.698 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.39 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.655 -1.164 . . . . 0.0 112.986 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.39 18.47 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 121.575 1.988 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.4 30.3 Favored 'Isoleucine or valine' 0 C--O 1.267 2.013 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.166 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.34 169.57 8.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.161 2.163 . . . . 0.0 109.509 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -54.8 143.03 26.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.23 1.491 . . . . 0.0 109.251 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.66 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.722 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.445 2.966 . . . . 0.0 105.876 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.521 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.93 28.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 178.474 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.57 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.49 36.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -85.96 147.99 25.97 Favored 'General case' 0 C--O 1.271 2.227 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.51 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -71.03 145.54 49.88 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 125.815 1.947 . . . . 0.0 109.819 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -66.67 128.53 36.61 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 113.825 -1.534 . . . . 0.0 108.87 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.06 39.11 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 114.679 -1.146 . . . . 0.0 115.069 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 CA-C-O 116.389 -2.34 . . . . 0.0 108.388 179.382 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.978 2.674 . . . . 0.0 108.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.16 49.53 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.479 4.862 . . . . 0.0 108.791 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.473 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 129.406 4.191 . . . . 0.0 108.04 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.88 49.25 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.088 0.868 . . . . 0.0 112.603 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 14.99 30.28 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.031 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.45 80.33 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.145 -1.597 . . . . 0.0 116.123 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.07 34.39 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.8 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.689 2.493 . . . . 0.0 106.021 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 127.598 3.061 . . . . 0.0 109.069 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.7 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.262 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.0 44.22 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.481 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.002 1 O-C-N 129.167 4.042 . . . . 0.0 103.561 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.727 3.142 . . . . 0.0 111.209 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 112.122 -2.308 . . . . 0.0 106.294 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.22 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.604 2.203 . . . . 0.0 111.911 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.926 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.87 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.39 21.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.24 77.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 O-C-N 127.163 2.789 . . . . 0.0 110.399 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.42 79.27 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.325 -0.859 . . . . 0.0 110.701 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 124.293 1.037 . . . . 0.0 111.578 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.058 1.473 . . . . 0.0 109.335 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.97 83.87 Favored 'General case' 0 C--O 1.256 1.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.781 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.4 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.016 0.371 . . . . 0.0 111.231 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.324 -1.485 . . . . 0.0 110.798 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.37 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 125.467 2.556 . . . . 0.0 109.004 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.53 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.757 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.42 17.97 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.38 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.115 2.689 . . . . 0.0 113.977 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.907 2.323 . . . . 0.0 118.907 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.027 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.114 2.543 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.261 1.663 0 O-C-N 122.885 0.94 . . . . 0.0 113.44 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.56 63.64 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 120.015 -1.678 . . . . 0.0 112.224 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.45 28.8 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.482 -1.386 . . . . 0.0 112.037 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 124.294 1.997 . . . . 0.0 115.607 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.544 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 O-C-N 125.199 1.562 . . . . 0.0 111.854 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.806 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.01 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.365 2.888 . . . . 0.0 117.506 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.31 34.59 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.057 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.07 36.63 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 125.077 1.486 . . . . 0.0 109.951 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.2 30.05 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.697 3.591 . . . . 0.0 120.697 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.29 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.109 1.204 . . . . 0.0 116.109 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.58 16.98 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 120.017 -1.873 . . . . 0.0 107.983 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.23 79.31 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.039 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.174 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.34 70.45 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.455 1.122 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.44 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.029 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.38 18.56 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.52 1.964 . . . . 0.0 111.224 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.42 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.125 -2.369 . . . . 0.0 106.172 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.55 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.067 2.104 . . . . 0.0 109.507 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -54.76 143.03 26.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.222 1.486 . . . . 0.0 109.244 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.19 159.45 34.63 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.11 126.66 52.15 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.759 -2.543 . . . . 0.0 105.7 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.402 2.939 . . . . 0.0 105.924 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.819 0 CA-C-O 117.577 -1.202 . . . . 0.0 111.498 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.101 0.477 . . . . 0.0 109.845 178.454 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.452 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.565 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 84.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.466 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.91 37.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . -98.23 135.97 39.1 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.531 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -74.19 174.13 9.17 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 125.863 1.977 . . . . 0.0 109.785 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.93 160.63 42.6 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.842 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.38 177.27 30.24 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.07 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.438 0 CA-C-O 116.403 -2.332 . . . . 0.0 108.337 179.297 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 126.959 2.662 . . . . 0.0 108.893 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.95 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.433 4.833 . . . . 0.0 108.758 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.503 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.236 1 O-C-N 129.41 4.194 . . . . 0.0 108.062 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.94 49.56 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.086 0.866 . . . . 0.0 112.602 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.27 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.45 80.31 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.142 -1.599 . . . . 0.0 116.188 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.631 2.457 . . . . 0.0 106.044 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.01 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.613 3.07 . . . . 0.0 109.032 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.76 36.67 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.265 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.385 -2.245 . . . . 0.0 108.428 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.42 Favored 'General case' 0 N--CA 1.5 2.041 1 O-C-N 129.243 4.09 . . . . 0.0 103.56 174.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.723 3.139 . . . . 0.0 111.24 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.5 37.76 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.144 -2.298 . . . . 0.0 106.294 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.51 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.589 2.193 . . . . 0.0 111.918 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.948 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.868 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.149 2.781 . . . . 0.0 110.368 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.349 -0.844 . . . . 0.0 110.727 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.93 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.315 1.046 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.019 1.449 . . . . 0.0 109.324 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.08 87.39 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 117.957 0.344 . . . . 0.0 111.227 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.3 86.98 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.405 -1.435 . . . . 0.0 110.81 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.45 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.59 79.36 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.461 2.553 . . . . 0.0 108.984 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.54 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.747 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.43 17.97 Favored 'General case' 0 C--O 1.279 2.654 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.091 2.678 . . . . 0.0 113.969 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.45 90.08 Favored Glycine 0 CA--C 1.478 -2.25 0 N-CA-C 118.917 2.327 . . . . 0.0 118.917 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.85 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.797 -1.161 . . . . 0.0 111.017 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.48 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.142 2.561 . . . . 0.0 110.916 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.262 1.682 0 O-C-N 122.892 0.943 . . . . 0.0 113.393 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.14 -15.59 63.65 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.986 -1.696 . . . . 0.0 112.221 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.522 -1.361 . . . . 0.0 112.045 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 124.332 2.015 . . . . 0.0 115.616 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.02 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.502 1.046 . . . . 0.0 110.01 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.89 72.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.205 1.566 . . . . 0.0 111.904 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.32 129.67 18.84 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.74 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.61 60.99 Favored Glycine 0 N--CA 1.432 -1.603 0 C-N-CA 128.365 2.888 . . . . 0.0 117.505 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.4 37.46 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.991 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.74 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 125.096 1.497 . . . . 0.0 109.935 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.66 Favored 'General case' 0 C--O 1.266 1.923 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.84 85.29 Favored Glycine 0 CA--C 1.491 -1.439 0 N-CA-C 116.119 1.208 . . . . 0.0 116.119 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.62 16.99 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 119.978 -1.896 . . . . 0.0 108.01 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.56 11.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.19 79.24 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.167 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.26 70.48 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.497 1.142 . . . . 0.0 110.736 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.65 51.59 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.965 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.37 18.31 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.582 1.992 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.048 0 CA-C-O 115.134 -2.365 . . . . 0.0 106.167 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.07 2.106 . . . . 0.0 109.533 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 123.223 1.487 . . . . 0.0 109.235 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 117.896 2.554 . . . . 0.0 117.896 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.56 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.14 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.65 19.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.752 -2.546 . . . . 0.0 105.667 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.388 2.93 . . . . 0.0 105.903 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.83 30.87 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.482 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.196 0.522 . . . . 0.0 109.86 178.452 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.565 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.466 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.78 37.38 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -92.15 -49.25 6.29 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.506 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 59.03 110.87 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 O-C-N 125.813 1.945 . . . . 0.0 109.808 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.76 -43.24 99.25 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.862 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.48 -1.19 78.16 Favored Glycine 0 C--O 1.244 0.729 0 CA-C-N 114.654 -1.157 . . . . 0.0 115.083 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.376 -2.347 . . . . 0.0 108.394 179.304 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.944 2.652 . . . . 0.0 108.952 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.662 1 O-C-N 130.455 4.847 . . . . 0.0 108.774 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.499 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.53 41.27 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.388 4.18 . . . . 0.0 108.067 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.4 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.98 49.75 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.048 0.843 . . . . 0.0 112.602 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.5 80.35 Favored Glycine 0 C--N 1.298 -1.554 0 O-C-N 120.162 -1.586 . . . . 0.0 116.145 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.78 55.33 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.56 2.412 . . . . 0.0 106.018 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.615 3.072 . . . . 0.0 109.039 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.77 36.71 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.281 -1.767 . . . . 0.0 108.224 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.449 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.45 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.229 4.08 . . . . 0.0 103.565 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 O-C-N 127.638 3.086 . . . . 0.0 111.252 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.8 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.188 -2.278 . . . . 0.0 106.351 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.43 39.49 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.573 2.182 . . . . 0.0 111.933 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.889 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.905 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.28 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.176 2.798 . . . . 0.0 110.409 175.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.42 79.13 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.374 -0.829 . . . . 0.0 110.764 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 124.316 1.046 . . . . 0.0 111.495 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.02 1.45 . . . . 0.0 109.297 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -38.01 83.85 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.756 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.004 0.366 . . . . 0.0 111.209 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.0 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.404 -1.435 . . . . 0.0 110.815 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.2 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 125.522 2.582 . . . . 0.0 109.037 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.716 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.151 2.705 . . . . 0.0 113.957 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.3 90.17 Favored Glycine 0 CA--C 1.478 -2.258 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.022 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.9 79.42 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.126 2.551 . . . . 0.0 110.925 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.653 0 O-C-N 122.884 0.939 . . . . 0.0 113.423 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.727 0 O-C-N 120.0 -1.688 . . . . 0.0 112.199 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.44 28.87 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.523 -1.361 . . . . 0.0 112.021 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.266 1.984 . . . . 0.0 115.67 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.26 50.95 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.481 1.037 . . . . 0.0 109.995 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.148 1.53 . . . . 0.0 111.904 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.94 19.73 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.715 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.374 2.893 . . . . 0.0 117.551 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.34 37.49 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.033 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.04 36.67 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.015 1.447 . . . . 0.0 109.972 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.2 29.94 Favored 'General case' 0 C--O 1.265 1.881 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.28 Favored Glycine 0 CA--C 1.492 -1.389 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.58 17.01 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.002 -1.881 . . . . 0.0 108.002 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.25 79.39 Favored 'General case' 0 C--O 1.202 -1.409 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.76 Favored 'General case' 0 C--O 1.269 2.087 0 C-N-CA 117.343 -1.743 . . . . 0.0 112.152 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.26 70.61 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.493 1.139 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.66 51.56 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.953 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.41 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 121.595 1.998 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.138 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.08 2.113 . . . . 0.0 109.527 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.71 143.03 26.42 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.218 1.485 . . . . 0.0 109.257 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.68 52.16 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.7 19.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 114.717 -2.563 . . . . 0.0 105.72 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.72 46.55 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.41 2.944 . . . . 0.0 105.873 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.523 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.181 0.515 . . . . 0.0 109.769 178.464 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.478 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.87 38.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -80.82 154.94 26.87 Favored 'General case' 0 C--O 1.272 2.252 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.476 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -73.4 157.62 36.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 125.772 1.92 . . . . 0.0 109.816 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.88 -40.13 94.33 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.856 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.34 -159.28 53.83 Favored Glycine 0 C--O 1.244 0.741 0 CA-C-N 114.679 -1.146 . . . . 0.0 115.103 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.425 0 CA-C-O 116.382 -2.343 . . . . 0.0 108.379 179.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 126.98 2.675 . . . . 0.0 108.894 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.436 4.835 . . . . 0.0 108.761 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.17 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.485 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.54 41.23 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.338 4.149 . . . . 0.0 108.04 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.73 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.081 0.863 . . . . 0.0 112.596 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.823 -2.351 . . . . 0.0 112.013 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.58 80.25 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.119 -1.613 . . . . 0.0 116.13 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.06 34.52 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.77 55.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 126.615 2.447 . . . . 0.0 106.045 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.55 141.95 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.587 3.055 . . . . 0.0 109.03 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.39 139.81 36.54 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.284 -1.766 . . . . 0.0 108.198 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.02 44.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.467 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.19 44.38 Favored 'General case' 0 N--CA 1.499 1.977 1 O-C-N 129.236 4.085 . . . . 0.0 103.595 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.67 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.74 3.15 . . . . 0.0 111.205 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.54 37.82 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.31 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.29 Favored 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 122.582 2.188 . . . . 0.0 111.953 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.872 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.885 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.38 21.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.172 2.795 . . . . 0.0 110.355 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.4 79.04 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.335 -0.853 . . . . 0.0 110.68 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.8 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.304 1.042 . . . . 0.0 111.54 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.4 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.059 1.474 . . . . 0.0 109.324 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.97 83.78 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.06 87.16 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.024 0.374 . . . . 0.0 111.217 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.26 86.85 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.367 -1.458 . . . . 0.0 110.757 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.45 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.549 2.595 . . . . 0.0 109.022 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.42 17.95 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.12 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 123.097 2.68 . . . . 0.0 113.963 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.839 2.295 . . . . 0.0 118.839 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.85 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.158 2.572 . . . . 0.0 110.93 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.2 92.78 Favored 'Trans proline' 0 C--O 1.262 1.692 0 C-N-CA 120.709 0.939 . . . . 0.0 113.429 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.16 -15.6 63.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 119.963 -1.711 . . . . 0.0 112.185 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.47 28.91 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.551 -1.343 . . . . 0.0 112.042 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.276 1.989 . . . . 0.0 115.642 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.97 24.04 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 119.476 1.034 . . . . 0.0 109.975 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.21 1.569 . . . . 0.0 111.862 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.02 19.39 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.23 -2.259 . . . . 0.0 110.753 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 128.355 2.883 . . . . 0.0 117.504 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.44 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.056 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.03 36.69 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.014 1.446 . . . . 0.0 109.961 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.86 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.11 0 O-C-N 120.002 -1.881 . . . . 0.0 108.026 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.24 79.32 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.61 70.79 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.312 -1.755 . . . . 0.0 112.172 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.29 70.69 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.451 1.12 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 117.623 -1.18 . . . . 0.0 112.939 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.33 18.46 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 121.584 1.993 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.071 2.107 . . . . 0.0 109.487 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 20.0 pttt -54.75 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.21 1.481 . . . . 0.0 109.266 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.19 10.65 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.57 34.43 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.71 52.16 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.699 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.463 2.977 . . . . 0.0 105.875 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.81 30.83 Favored 'General case' 0 C--O 1.282 2.8 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.51 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.197 0.522 . . . . 0.0 109.805 178.489 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.454 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.8 37.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -89.95 -133.0 0.1 Allowed 'General case' 0 C--O 1.273 2.307 0 CA-C-O 113.354 -3.212 . . . . 0.0 105.497 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 75' ' ' GLY . . . -164.11 139.68 6.14 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 125.79 1.931 . . . . 0.0 109.857 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -71.34 93.94 1.17 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.876 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 73' ' ' LEU . . . -62.47 -40.56 99.25 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 114.608 -1.178 . . . . 0.0 115.077 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.364 -2.353 . . . . 0.0 108.405 179.133 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.961 2.663 . . . . 0.0 108.941 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.08 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.441 4.838 . . . . 0.0 108.758 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.503 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.47 41.2 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.369 4.168 . . . . 0.0 108.078 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.97 49.72 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.034 0.834 . . . . 0.0 112.603 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.03 30.15 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.005 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.44 80.38 Favored Glycine 0 C--N 1.298 -1.58 0 O-C-N 120.17 -1.581 . . . . 0.0 116.171 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.03 34.47 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 126.576 2.422 . . . . 0.0 106.022 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.99 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 127.574 3.046 . . . . 0.0 109.008 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.79 36.59 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.26 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.49 154.02 44.33 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.395 -2.241 . . . . 0.0 108.454 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.36 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.16 4.037 . . . . 0.0 103.57 174.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 O-C-N 127.676 3.11 . . . . 0.0 111.224 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.7 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.342 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.41 39.09 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.556 2.171 . . . . 0.0 111.974 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.21 59.16 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.882 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 117.369 -1.732 . . . . 0.0 109.854 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 O-C-N 127.19 2.806 . . . . 0.0 110.374 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.55 -40.53 79.09 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.341 -0.849 . . . . 0.0 110.73 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.4 -44.51 87.22 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 111.491 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.46 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.033 1.458 . . . . 0.0 109.281 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.04 83.85 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.03 87.26 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.001 0.364 . . . . 0.0 111.255 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.427 -1.421 . . . . 0.0 110.799 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.54 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.484 2.564 . . . . 0.0 108.978 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.782 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.41 17.92 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.093 2.679 . . . . 0.0 113.934 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.479 -2.215 0 N-CA-C 118.825 2.29 . . . . 0.0 118.825 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.86 83.37 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.776 -1.17 . . . . 0.0 111.043 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.12 2.546 . . . . 0.0 110.975 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.25 -32.12 92.73 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.702 0.935 . . . . 0.0 113.448 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.977 -1.702 . . . . 0.0 112.166 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.48 28.87 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.514 -1.366 . . . . 0.0 112.055 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.64 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.294 1.997 . . . . 0.0 115.625 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.99 24.09 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.65 130.25 51.08 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.492 1.042 . . . . 0.0 109.991 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.165 1.54 . . . . 0.0 111.916 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.65 18.86 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.52 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 112.237 -2.256 . . . . 0.0 110.777 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.88 21.46 61.1 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.351 2.881 . . . . 0.0 117.541 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.63 46.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.52 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.025 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.71 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 125.108 1.505 . . . . 0.0 109.981 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.18 29.81 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.28 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.088 1.195 . . . . 0.0 116.088 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.59 16.99 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.993 -1.886 . . . . 0.0 107.976 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.62 164.57 11.67 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.22 79.23 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.57 70.73 Favored 'General case' 0 C--O 1.269 2.083 0 C-N-CA 117.263 -1.775 . . . . 0.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 122.51 1.147 . . . . 0.0 110.747 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.0 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.36 18.48 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 121.543 1.974 . . . . 0.0 111.175 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.107 -2.378 . . . . 0.0 106.185 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.091 2.12 . . . . 0.0 109.499 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -54.75 143.02 26.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.211 1.482 . . . . 0.0 109.25 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.11 10.61 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.54 34.52 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.68 52.11 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.66 19.1 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.714 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.35 2.906 . . . . 0.0 105.891 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.77 30.77 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.471 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.93 28.45 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 109.817 178.446 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.412 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.21 36.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -103.22 167.07 10.05 Favored 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.473 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -153.65 166.73 31.88 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.776 1.922 . . . . 0.0 109.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -153.37 161.32 42.44 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.867 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.96 -156.55 9.62 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.669 -1.151 . . . . 0.0 115.029 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.346 -2.363 . . . . 0.0 108.387 179.187 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.956 2.66 . . . . 0.0 108.902 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.02 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.512 2.661 1 O-C-N 130.425 4.828 . . . . 0.0 108.803 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.439 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.49 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.4 4.187 . . . . 0.0 108.067 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.9 49.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.097 0.873 . . . . 0.0 112.544 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.07 30.02 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.009 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.149 -1.594 . . . . 0.0 116.128 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.08 34.36 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 175.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.75 55.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.605 2.441 . . . . 0.0 106.049 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.02 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.596 3.06 . . . . 0.0 109.05 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.83 36.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.232 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.03 44.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.81 121.19 44.39 Favored 'General case' 0 N--CA 1.498 1.958 1 O-C-N 129.181 4.05 . . . . 0.0 103.596 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.62 15.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.698 3.124 . . . . 0.0 111.242 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.2 -2.273 . . . . 0.0 106.355 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.47 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.509 2.139 . . . . 0.0 111.957 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.851 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.58 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.18 2.8 . . . . 0.0 110.377 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.48 79.16 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.362 -0.836 . . . . 0.0 110.71 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.48 86.98 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 124.343 1.057 . . . . 0.0 111.501 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.028 1.455 . . . . 0.0 109.29 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.97 83.92 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.05 87.32 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 117.992 0.36 . . . . 0.0 111.21 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.2 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 120.428 -1.42 . . . . 0.0 110.829 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.52 77.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.62 79.26 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.495 2.569 . . . . 0.0 108.985 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.704 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.46 17.95 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.114 2.688 . . . . 0.0 113.958 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.26 5.3 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.82 83.43 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 118.761 -1.176 . . . . 0.0 111.029 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.117 2.544 . . . . 0.0 110.943 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.72 0 C-N-CA 120.7 0.933 . . . . 0.0 113.403 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.78 0 O-C-N 119.95 -1.719 . . . . 0.0 112.229 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.79 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.535 -1.353 . . . . 0.0 112.026 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 124.303 2.001 . . . . 0.0 115.671 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.9 23.86 Favored 'General case' 0 C--O 1.296 3.509 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.93 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.479 1.036 . . . . 0.0 109.979 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.146 1.529 . . . . 0.0 111.893 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.7 18.95 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.95 19.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.214 -2.266 . . . . 0.0 110.825 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.373 2.892 . . . . 0.0 117.469 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.804 -2.665 . . . . 0.0 103.804 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 117.757 -1.115 . . . . 0.0 109.982 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 125.081 1.488 . . . . 0.0 109.923 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.83 85.28 Favored Glycine 0 CA--C 1.492 -1.355 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 120.009 -1.877 . . . . 0.0 108.025 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.54 11.68 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.09 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.97 -29.55 70.7 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.299 -1.76 . . . . 0.0 112.193 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.31 70.59 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.451 1.119 . . . . 0.0 110.679 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.38 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.981 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.31 18.47 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.56 1.982 . . . . 0.0 111.211 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.169 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.102 2.126 . . . . 0.0 109.543 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 19.3 ptpt -54.78 143.02 26.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.267 1.508 . . . . 0.0 109.23 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 117.935 2.568 . . . . 0.0 117.935 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.681 -2.581 . . . . 0.0 105.757 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.5 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.945 . . . . 0.0 105.882 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.97 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.532 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 178.497 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.414 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 73' ' ' LEU . . . -96.06 136.79 36.04 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -73.12 8.84 1.43 Allowed 'General case' 0 C--O 1.272 2.269 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.51 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 58.93 70.98 0.61 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 125.773 1.92 . . . . 0.0 109.85 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 42.61 -132.79 0.5 Allowed 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.769 -1.56 . . . . 0.0 108.827 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.55 93.11 0.11 Allowed Glycine 0 C--O 1.243 0.7 0 CA-C-N 114.661 -1.154 . . . . 0.0 115.121 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 CA-C-O 116.37 -2.35 . . . . 0.0 108.38 179.242 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 127.013 2.695 . . . . 0.0 108.939 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.0 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.465 4.853 . . . . 0.0 108.821 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.371 -3.204 . . . . 0.0 105.495 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.44 41.17 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.424 4.203 . . . . 0.0 108.058 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.69 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.071 0.857 . . . . 0.0 112.567 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.808 -2.357 . . . . 0.0 111.98 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.56 80.28 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.137 -1.602 . . . . 0.0 116.094 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.45 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.628 2.455 . . . . 0.0 105.967 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 127.544 3.028 . . . . 0.0 109.102 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.68 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.215 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.06 44.17 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 115.386 -2.245 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.119 4.012 . . . . 0.0 103.562 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 O-C-N 127.689 3.118 . . . . 0.0 111.21 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.48 37.56 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.179 -2.282 . . . . 0.0 106.325 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.4 38.76 Favored 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 122.551 2.167 . . . . 0.0 111.944 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.98 -8.12 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.914 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.311 -1.756 . . . . 0.0 109.864 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.45 21.17 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.221 2.826 . . . . 0.0 110.39 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.2 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.37 -0.831 . . . . 0.0 110.699 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.17 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.297 1.039 . . . . 0.0 111.549 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.37 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 125.057 1.473 . . . . 0.0 109.263 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.94 83.81 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.778 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.278 2.559 0 CA-C-N 117.97 0.35 . . . . 0.0 111.227 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.24 86.81 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 120.401 -1.437 . . . . 0.0 110.815 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.52 77.49 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.62 79.26 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 125.514 2.578 . . . . 0.0 109.014 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.754 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.091 2.678 . . . . 0.0 113.983 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.911 2.325 . . . . 0.0 118.911 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.92 83.27 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.045 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.77 Favored 'Trans proline' 0 C--O 1.258 1.512 0 C-N-CA 123.177 2.585 . . . . 0.0 110.94 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.664 0 O-C-N 122.851 0.922 . . . . 0.0 113.434 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.774 0 O-C-N 119.966 -1.709 . . . . 0.0 112.229 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.42 29.03 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.524 -1.36 . . . . 0.0 112.011 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.69 34.77 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 124.304 2.002 . . . . 0.0 115.647 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.87 23.83 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.24 50.9 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.483 1.038 . . . . 0.0 109.948 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.81 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 125.133 1.52 . . . . 0.0 111.863 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.95 19.52 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.819 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.08 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.313 2.864 . . . . 0.0 117.508 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.33 37.43 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 117.762 -1.114 . . . . 0.0 110.001 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.75 139.99 36.65 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.067 1.479 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.88 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.423 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.58 16.99 Favored 'General case' 0 C--O 1.25 1.102 0 O-C-N 119.998 -1.884 . . . . 0.0 108.005 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.2 79.26 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.349 -1.74 . . . . 0.0 112.135 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.31 70.56 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.41 1.1 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.67 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.644 -1.17 . . . . 0.0 112.956 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.561 1.982 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.42 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.161 -2.352 . . . . 0.0 106.186 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.068 2.105 . . . . 0.0 109.568 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.74 143.06 26.5 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 123.224 1.488 . . . . 0.0 109.281 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.21 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.51 34.53 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.739 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.409 2.943 . . . . 0.0 105.869 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.482 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 178.449 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.414 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.701 ' O ' ' H92' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.64 36.24 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -80.99 -130.5 0.02 OUTLIER 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -163.73 126.5 2.56 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 125.759 1.912 . . . . 0.0 109.831 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -98.63 130.93 45.16 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 113.789 -1.551 . . . . 0.0 108.859 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.68 159.31 27.9 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.652 -1.158 . . . . 0.0 115.092 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 CA-C-O 116.409 -2.328 . . . . 0.0 108.335 179.154 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 127.032 2.708 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 115.953 -1.975 . . . . 0.0 105.702 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.99 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.469 4.856 . . . . 0.0 108.812 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.477 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.52 41.24 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.94 49.55 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 124.039 0.837 . . . . 0.0 112.575 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.811 -2.356 . . . . 0.0 111.998 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.32 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.097 -1.627 . . . . 0.0 116.088 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.38 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 126.544 2.402 . . . . 0.0 106.03 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 127.631 3.082 . . . . 0.0 109.068 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.66 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.238 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.431 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.265 4.103 . . . . 0.0 103.563 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 O-C-N 127.737 3.148 . . . . 0.0 111.178 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.69 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.143 -2.298 . . . . 0.0 106.317 174.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 122.5 2.133 . . . . 0.0 111.96 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.91 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.46 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.843 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.17 2.794 . . . . 0.0 110.372 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.43 78.98 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.378 -0.826 . . . . 0.0 110.763 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.47 87.06 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.336 1.055 . . . . 0.0 111.507 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 125.023 1.452 . . . . 0.0 109.342 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.97 83.7 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.762 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.968 0.349 . . . . 0.0 111.152 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.31 87.04 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.358 -1.464 . . . . 0.0 110.829 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.53 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.531 2.586 . . . . 0.0 109.014 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.65 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.749 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.618 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.64 -6.34 8.06 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.132 2.696 . . . . 0.0 114.006 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.894 2.318 . . . . 0.0 118.894 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.81 124.87 83.17 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.109 2.539 . . . . 0.0 110.952 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.18 92.74 Favored 'Trans proline' 0 C--O 1.262 1.681 0 O-C-N 122.878 0.936 . . . . 0.0 113.438 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.6 63.64 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.77 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.511 -1.368 . . . . 0.0 112.054 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.72 34.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.304 2.002 . . . . 0.0 115.614 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.89 Favored 'General case' 0 C--O 1.296 3.543 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 51.0 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 119.448 1.022 . . . . 0.0 110.002 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.153 1.533 . . . . 0.0 111.88 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.795 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.08 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.363 2.887 . . . . 0.0 117.495 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.61 46.4 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.592 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.61 138.4 37.42 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.985 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 125.01 1.444 . . . . 0.0 109.98 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.69 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.03 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 119.954 -1.909 . . . . 0.0 107.959 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.17 79.25 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.183 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.51 -39.34 70.37 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.5 1.143 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.62 51.56 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.718 -1.134 . . . . 0.0 113.026 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.41 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 121.551 1.978 . . . . 0.0 111.209 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.072 -2.395 . . . . 0.0 106.186 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.131 2.145 . . . . 0.0 109.521 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -54.78 143.0 26.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.226 1.489 . . . . 0.0 109.281 -176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.46 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.69 52.11 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.69 19.04 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.678 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.71 135.77 46.53 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.42 2.95 . . . . 0.0 105.852 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.78 30.78 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.619 -1.181 . . . . 0.0 111.465 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.163 0.506 . . . . 0.0 109.801 178.458 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.701 ' H92' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.17 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.32 127.73 34.83 Favored 'General case' 0 C--O 1.272 2.24 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.486 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 74' ' ' ARG . . . -70.19 126.52 29.9 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 125.784 1.927 . . . . 0.0 109.851 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.512 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -71.57 134.95 46.79 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 113.816 -1.538 . . . . 0.0 108.826 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.19 156.69 26.2 Favored Glycine 0 C--O 1.243 0.675 0 CA-C-N 114.622 -1.172 . . . . 0.0 115.08 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.44 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.398 179.034 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.2 31.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.96 2.662 . . . . 0.0 108.932 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.02 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.512 2.646 1 O-C-N 130.449 4.843 . . . . 0.0 108.794 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.421 -3.181 . . . . 0.0 105.485 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.415 4.197 . . . . 0.0 108.051 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.74 8.4 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.054 0.846 . . . . 0.0 112.614 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.07 30.0 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.014 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.44 80.41 Favored Glycine 0 C--N 1.298 -1.538 0 O-C-N 120.107 -1.62 . . . . 0.0 116.132 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.04 34.48 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.77 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.593 2.433 . . . . 0.0 106.024 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.96 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 127.624 3.078 . . . . 0.0 109.049 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.229 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 115.379 -2.248 . . . . 0.0 108.473 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.192 4.058 . . . . 0.0 103.545 174.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.67 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.678 3.111 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.49 37.77 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.281 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.44 39.31 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.538 2.159 . . . . 0.0 111.97 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.894 -177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.52 47.45 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.847 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.26 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 127.192 2.807 . . . . 0.0 110.401 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.44 78.95 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.366 -0.833 . . . . 0.0 110.696 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.53 86.78 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.353 1.061 . . . . 0.0 111.468 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.44 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 125.09 1.494 . . . . 0.0 109.288 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.99 83.79 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.766 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.99 87.11 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 118.047 0.385 . . . . 0.0 111.216 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.21 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 120.345 -1.472 . . . . 0.0 110.77 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.47 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.36 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.5 2.572 . . . . 0.0 108.983 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.72 66.48 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.712 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.644 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.38 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.109 2.686 . . . . 0.0 113.965 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.317 0 N-CA-C 118.887 2.315 . . . . 0.0 118.887 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.77 124.82 83.26 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.823 -1.151 . . . . 0.0 111.008 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.124 2.549 . . . . 0.0 110.888 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.76 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 122.908 0.951 . . . . 0.0 113.414 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.55 63.62 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.997 -1.689 . . . . 0.0 112.18 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.507 -1.371 . . . . 0.0 112.032 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.29 1.995 . . . . 0.0 115.647 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.23 50.93 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.453 1.024 . . . . 0.0 109.988 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.86 72.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.141 1.526 . . . . 0.0 111.924 -177.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.65 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 112.233 -2.258 . . . . 0.0 110.762 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.61 61.09 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.361 2.886 . . . . 0.0 117.5 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.051 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.02 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.031 1.457 . . . . 0.0 110.0 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.21 29.49 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.84 85.23 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.087 1.195 . . . . 0.0 116.087 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.966 -1.902 . . . . 0.0 107.969 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.22 79.29 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.269 -1.772 . . . . 0.0 112.174 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.34 70.51 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 122.461 1.124 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.979 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.557 1.981 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.46 30.38 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.108 -2.377 . . . . 0.0 106.17 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.47 169.54 8.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.138 2.149 . . . . 0.0 109.538 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.8 143.06 26.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.212 1.482 . . . . 0.0 109.227 -176.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.16 10.63 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.49 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.68 135.77 46.5 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.381 2.925 . . . . 0.0 105.906 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 117.621 -1.18 . . . . 0.0 111.532 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.163 0.506 . . . . 0.0 109.813 178.479 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.05 39.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 159.2 -164.76 0.0 OUTLIER 'General case' 0 C--O 1.272 2.272 0 CA-C-O 113.377 -3.201 . . . . 0.0 105.477 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 78.1 32.25 0.37 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 125.801 1.938 . . . . 0.0 109.817 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -83.62 129.21 34.96 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.85 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.36 161.78 28.69 Favored Glycine 0 C--O 1.243 0.693 0 CA-C-N 114.627 -1.169 . . . . 0.0 115.066 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 116.36 -2.355 . . . . 0.0 108.365 179.143 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.965 2.666 . . . . 0.0 108.898 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 173.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.435 4.834 . . . . 0.0 108.787 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.471 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.45 41.22 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.41 4.194 . . . . 0.0 108.035 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.76 8.39 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.96 49.67 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.085 0.866 . . . . 0.0 112.575 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.02 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.84 -2.344 . . . . 0.0 111.987 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.298 -1.57 0 O-C-N 120.113 -1.617 . . . . 0.0 116.129 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.04 34.46 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 174.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.32 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 126.619 2.45 . . . . 0.0 106.014 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.0 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.572 3.045 . . . . 0.0 109.034 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.2 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.04 44.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.424 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.27 44.58 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.169 4.043 . . . . 0.0 103.545 173.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 O-C-N 127.669 3.106 . . . . 0.0 111.194 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.138 -2.301 . . . . 0.0 106.356 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 122.575 2.183 . . . . 0.0 112.003 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.857 -177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.52 47.49 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.889 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.3 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 127.166 2.791 . . . . 0.0 110.394 175.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.45 79.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.369 -0.832 . . . . 0.0 110.742 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.46 86.88 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.341 1.056 . . . . 0.0 111.542 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.38 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 125.05 1.469 . . . . 0.0 109.341 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.96 83.84 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.773 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.01 87.02 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.98 0.355 . . . . 0.0 111.245 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.356 -1.465 . . . . 0.0 110.787 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.52 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.46 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.554 2.597 . . . . 0.0 109.012 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.694 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.33 8.1 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.1 2.682 . . . . 0.0 113.958 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.911 2.324 . . . . 0.0 118.911 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.4 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.988 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.119 2.546 . . . . 0.0 110.955 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.16 92.75 Favored 'Trans proline' 0 C--O 1.262 1.716 0 O-C-N 122.856 0.924 . . . . 0.0 113.375 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.969 -1.707 . . . . 0.0 112.202 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.481 -1.387 . . . . 0.0 112.009 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.278 1.989 . . . . 0.0 115.654 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.26 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.436 1.016 . . . . 0.0 110.022 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.77 72.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.164 1.54 . . . . 0.0 111.89 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.0 19.58 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.297 -2.229 . . . . 0.0 110.743 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.62 61.12 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.398 2.904 . . . . 0.0 117.49 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.12 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.35 37.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.023 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.73 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 125.073 1.483 . . . . 0.0 109.924 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.24 29.17 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.747 3.61 . . . . 0.0 120.747 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.88 85.24 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.015 -1.873 . . . . 0.0 108.021 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.63 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.13 -36.24 79.23 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.179 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.27 70.64 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.454 1.121 . . . . 0.0 110.723 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.002 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.51 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 121.52 1.964 . . . . 0.0 111.176 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.173 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.5 8.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.102 2.126 . . . . 0.0 109.529 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 143.06 26.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.186 1.47 . . . . 0.0 109.262 -176.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.88 19.19 10.67 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.71 52.25 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.728 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.39 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.443 2.964 . . . . 0.0 105.924 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.79 Favored 'General case' 0 C--O 1.283 2.832 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.478 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.87 28.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.192 0.52 . . . . 0.0 109.828 178.488 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.459 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.91 35.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -95.31 115.63 27.69 Favored 'General case' 0 C--O 1.271 2.226 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.528 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -131.85 119.54 21.35 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 125.82 1.95 . . . . 0.0 109.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -162.34 176.38 10.6 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.765 -1.561 . . . . 0.0 108.843 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.75 -147.73 7.03 Favored Glycine 0 C--O 1.243 0.689 0 CA-C-N 114.692 -1.14 . . . . 0.0 115.093 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.388 -2.34 . . . . 0.0 108.365 179.151 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 127.0 2.687 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.416 4.823 . . . . 0.0 108.76 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.51 41.25 Favored 'General case' 0 N--CA 1.505 2.286 1 O-C-N 129.381 4.176 . . . . 0.0 108.05 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.84 49.04 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.044 0.84 . . . . 0.0 112.56 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.796 -2.362 . . . . 0.0 112.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.53 80.33 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 120.117 -1.614 . . . . 0.0 116.143 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.07 34.49 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.33 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 126.546 2.404 . . . . 0.0 106.016 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 127.586 3.054 . . . . 0.0 109.078 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.7 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 117.252 -1.779 . . . . 0.0 108.232 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.98 44.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 115.377 -2.249 . . . . 0.0 108.434 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.15 44.31 Favored 'General case' 0 N--CA 1.498 1.966 1 O-C-N 129.17 4.044 . . . . 0.0 103.61 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.01 170.64 15.88 Favored 'Isoleucine or valine' 0 C--O 1.251 1.148 0 O-C-N 127.7 3.125 . . . . 0.0 111.201 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.49 37.72 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.097 -2.319 . . . . 0.0 106.326 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.49 39.42 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.507 2.138 . . . . 0.0 111.918 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.13 59.12 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.874 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.44 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.875 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.42 21.2 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.214 2.821 . . . . 0.0 110.37 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.362 -0.836 . . . . 0.0 110.72 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.55 -44.37 86.99 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.264 1.026 . . . . 0.0 111.574 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.39 -46.45 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.069 1.481 . . . . 0.0 109.308 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.8 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.98 87.04 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-N 118.019 0.372 . . . . 0.0 111.251 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.26 86.88 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.387 -1.446 . . . . 0.0 110.83 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.53 79.57 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.565 2.602 . . . . 0.0 109.044 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.71 66.71 Favored 'General case' 0 C--O 1.254 1.33 0 CA-C-N 113.659 -1.61 . . . . 0.0 111.747 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.978 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.39 90.1 Favored Glycine 0 CA--C 1.477 -2.297 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.84 83.38 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.068 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.164 2.576 . . . . 0.0 110.953 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.77 Favored 'Trans proline' 0 C--O 1.262 1.714 0 C-N-CA 120.702 0.935 . . . . 0.0 113.396 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 119.938 -1.726 . . . . 0.0 112.218 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.48 28.74 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.485 -1.384 . . . . 0.0 112.048 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.71 129.65 34.8 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.305 2.002 . . . . 0.0 115.638 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 116.01 24.07 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.67 130.3 51.12 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.487 1.04 . . . . 0.0 109.981 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.86 72.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 125.16 1.537 . . . . 0.0 111.861 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.64 18.86 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.02 19.6 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.791 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 21.6 60.91 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.385 2.898 . . . . 0.0 117.515 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 103.795 -2.669 . . . . 0.0 103.795 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.38 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.034 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.112 1.508 . . . . 0.0 110.008 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.73 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.697 3.592 . . . . 0.0 120.697 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.422 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.04 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 119.955 -1.909 . . . . 0.0 108.009 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.54 11.67 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.2 79.16 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.133 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.25 70.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.485 1.136 . . . . 0.0 110.72 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.76 51.3 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.941 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.82 45.39 18.67 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.572 1.987 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.124 -2.369 . . . . 0.0 106.164 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.56 8.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.119 2.137 . . . . 0.0 109.539 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 12.0 mtpt -54.73 143.03 26.51 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.222 1.487 . . . . 0.0 109.262 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.67 52.07 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 118.294 -0.86 . . . . 0.0 108.68 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.752 -2.547 . . . . 0.0 105.724 174.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.47 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.891 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.546 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.171 0.51 . . . . 0.0 109.852 178.446 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.445 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.697 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -125.42 152.37 44.94 Favored 'General case' 0 C--O 1.272 2.263 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.515 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -137.25 127.11 25.64 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.794 1.934 . . . . 0.0 109.839 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -88.53 128.26 35.55 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.809 -1.541 . . . . 0.0 108.828 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.52 -176.16 49.57 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.115 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.406 0 CA-C-O 116.389 -2.339 . . . . 0.0 108.403 179.291 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 126.956 2.66 . . . . 0.0 108.949 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.517 4.886 . . . . 0.0 108.794 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.499 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.44 41.22 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.384 4.177 . . . . 0.0 108.012 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.368 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.95 49.64 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.014 0.821 . . . . 0.0 112.604 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 115.8 -2.36 . . . . 0.0 111.993 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.116 -1.615 . . . . 0.0 116.085 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.72 55.3 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 126.65 2.469 . . . . 0.0 106.013 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.584 3.053 . . . . 0.0 109.037 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.233 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.407 -2.235 . . . . 0.0 108.452 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.26 44.57 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.153 4.033 . . . . 0.0 103.608 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.65 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 O-C-N 127.694 3.121 . . . . 0.0 111.229 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 112.148 -2.297 . . . . 0.0 106.28 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.47 39.34 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.567 2.178 . . . . 0.0 111.915 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.17 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.903 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.877 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.49 21.21 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.25 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.178 2.799 . . . . 0.0 110.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.337 -0.852 . . . . 0.0 110.704 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.43 87.02 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.36 1.064 . . . . 0.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.45 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.089 1.493 . . . . 0.0 109.34 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.789 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.07 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.407 -1.433 . . . . 0.0 110.834 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.38 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 125.477 2.561 . . . . 0.0 109.0 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.72 66.57 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.718 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.44 17.92 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.3 8.1 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 123.076 2.671 . . . . 0.0 113.96 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.32 90.17 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.89 2.316 . . . . 0.0 118.89 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.66 124.83 83.45 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.206 2.604 . . . . 0.0 110.889 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.67 Favored 'Trans proline' 0 C--O 1.262 1.683 0 O-C-N 122.888 0.941 . . . . 0.0 113.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.56 63.62 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 119.969 -1.707 . . . . 0.0 112.242 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.92 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.531 -1.356 . . . . 0.0 112.045 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.64 34.8 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.336 2.017 . . . . 0.0 115.647 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.94 23.96 Favored 'General case' 0 C--O 1.297 3.571 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.499 1.045 . . . . 0.0 109.986 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.05 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 125.183 1.552 . . . . 0.0 111.9 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.87 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.07 19.4 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.249 -2.25 . . . . 0.0 110.804 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.364 2.888 . . . . 0.0 117.511 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.6 46.42 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 103.789 -2.671 . . . . 0.0 103.789 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.31 37.44 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.045 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 140.0 36.67 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.025 1.453 . . . . 0.0 109.971 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.14 29.43 Favored 'General case' 0 C--O 1.265 1.88 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.22 Favored Glycine 0 CA--C 1.492 -1.346 0 N-CA-C 116.076 1.19 . . . . 0.0 116.076 -177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.53 17.03 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 120.07 -1.841 . . . . 0.0 108.031 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.15 79.26 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.74 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 117.329 -1.749 . . . . 0.0 112.15 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.28 70.48 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.464 1.126 . . . . 0.0 110.701 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.69 51.5 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.946 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.4 18.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.578 1.99 . . . . 0.0 111.205 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.103 2.127 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -54.71 142.98 26.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.215 1.483 . . . . 0.0 109.25 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.12 10.59 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.52 34.51 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.67 52.14 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.66 19.08 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 114.689 -2.577 . . . . 0.0 105.739 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 127.399 2.937 . . . . 0.0 105.916 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.841 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.51 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.98 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.202 0.525 . . . . 0.0 109.808 178.497 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.697 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.446 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 82.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.24 36.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -114.93 115.28 26.66 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.525 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -72.73 128.23 34.91 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.753 1.908 . . . . 0.0 109.818 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -69.41 131.19 44.39 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.747 -1.569 . . . . 0.0 108.803 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.19 -179.24 52.47 Favored Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.622 -1.172 . . . . 0.0 115.097 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.358 -2.357 . . . . 0.0 108.366 179.279 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 126.956 2.66 . . . . 0.0 108.959 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 173.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.464 4.853 . . . . 0.0 108.764 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.5 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.44 41.2 Favored 'General case' 0 N--CA 1.504 2.257 1 O-C-N 129.417 4.198 . . . . 0.0 108.096 -178.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.9 49.35 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 124.067 0.854 . . . . 0.0 112.629 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.798 -2.361 . . . . 0.0 111.958 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.51 80.31 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.161 -1.587 . . . . 0.0 116.111 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.631 2.457 . . . . 0.0 105.987 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.611 3.069 . . . . 0.0 109.036 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.78 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.195 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.02 44.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.433 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.24 44.49 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.209 4.068 . . . . 0.0 103.561 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.65 15.72 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.671 3.107 . . . . 0.0 111.23 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.18 -2.282 . . . . 0.0 106.339 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.536 2.157 . . . . 0.0 111.96 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.895 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.45 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.88 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.189 2.806 . . . . 0.0 110.387 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.47 79.13 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.386 -0.821 . . . . 0.0 110.707 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.13 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 124.331 1.052 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.46 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.88 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 117.97 0.35 . . . . 0.0 111.239 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.28 86.91 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 120.424 -1.422 . . . . 0.0 110.755 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.49 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.57 79.37 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 125.488 2.566 . . . . 0.0 108.991 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.754 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.45 17.93 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.34 8.09 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.118 2.69 . . . . 0.0 113.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.3 90.16 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.9 83.34 Favored Pre-proline 0 C--O 1.243 0.756 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.026 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.91 79.55 Favored 'Trans proline' 0 C--O 1.26 1.584 0 C-N-CA 123.142 2.561 . . . . 0.0 110.952 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.73 Favored 'Trans proline' 0 C--O 1.262 1.694 0 O-C-N 122.863 0.928 . . . . 0.0 113.436 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.002 -1.687 . . . . 0.0 112.226 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.465 -1.397 . . . . 0.0 112.017 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.32 2.009 . . . . 0.0 115.656 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.97 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.446 1.021 . . . . 0.0 109.952 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.16 131.84 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.149 1.531 . . . . 0.0 111.929 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.71 18.97 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 45.98 19.29 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.62 61.09 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.313 2.863 . . . . 0.0 117.551 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.64 46.38 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.4 37.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.042 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.0 36.73 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.051 1.47 . . . . 0.0 109.98 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.21 30.09 Favored 'General case' 0 C--O 1.266 1.94 0 N-CA-C 120.675 3.583 . . . . 0.0 120.675 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.88 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.58 17.02 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.009 -1.877 . . . . 0.0 107.965 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.24 79.35 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.57 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.203 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.31 70.68 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 122.487 1.137 . . . . 0.0 110.74 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.995 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 121.555 1.98 . . . . 0.0 111.19 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.12 -2.372 . . . . 0.0 106.155 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 126.142 2.151 . . . . 0.0 109.56 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.08 26.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.194 1.473 . . . . 0.0 109.275 -176.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.15 10.67 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.948 2.573 . . . . 0.0 117.948 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.695 175.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.401 2.938 . . . . 0.0 105.88 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.79 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.475 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.216 0.531 . . . . 0.0 109.814 178.434 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.446 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.94 38.5 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -122.75 164.31 18.55 Favored 'General case' 0 C--O 1.273 2.302 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.512 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 69.27 82.58 0.16 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.745 1.903 . . . . 0.0 109.823 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -64.65 -39.79 94.32 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.867 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 118.29 147.02 8.22 Favored Glycine 0 C--O 1.243 0.705 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.07 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.422 -2.321 . . . . 0.0 108.35 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.686 . . . . 0.0 108.928 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.25 49.41 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.508 4.88 . . . . 0.0 108.759 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.519 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.505 2.317 1 O-C-N 129.429 4.206 . . . . 0.0 108.049 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.37 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.092 0.87 . . . . 0.0 112.612 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.44 15.08 29.98 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.872 -2.331 . . . . 0.0 112.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.5 80.4 Favored Glycine 0 C--N 1.298 -1.566 0 O-C-N 120.094 -1.629 . . . . 0.0 116.052 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.07 34.41 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.587 2.43 . . . . 0.0 106.043 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.615 3.072 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.197 -1.801 . . . . 0.0 108.231 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.96 44.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.431 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.27 44.59 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.204 4.065 . . . . 0.0 103.553 173.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 127.653 3.096 . . . . 0.0 111.214 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.52 37.7 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.13 -2.304 . . . . 0.0 106.363 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.42 39.52 Favored 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 122.512 2.141 . . . . 0.0 111.934 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.913 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.46 47.58 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.341 -1.743 . . . . 0.0 109.922 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.44 21.28 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.181 2.8 . . . . 0.0 110.361 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.49 79.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.376 -0.828 . . . . 0.0 110.747 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.4 87.17 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.367 1.067 . . . . 0.0 111.511 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.45 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.09 1.493 . . . . 0.0 109.292 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.12 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.015 0.371 . . . . 0.0 111.207 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.376 -1.452 . . . . 0.0 110.779 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.56 77.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.41 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.519 2.58 . . . . 0.0 108.97 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.73 66.41 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.737 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.825 -1.15 . . . . 0.0 111.03 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.87 79.26 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.182 2.588 . . . . 0.0 110.942 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.13 -32.22 92.73 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.871 0.932 . . . . 0.0 113.422 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.49 63.6 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 119.902 -1.748 . . . . 0.0 112.206 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.46 28.72 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.489 -1.382 . . . . 0.0 112.08 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 124.346 2.022 . . . . 0.0 115.613 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.9 23.85 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 172.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.28 50.94 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.504 1.047 . . . . 0.0 110.002 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.77 72.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.136 1.522 . . . . 0.0 111.925 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.04 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.97 19.49 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.768 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.62 61.02 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.343 2.878 . . . . 0.0 117.51 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.2 34.62 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.35 37.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.02 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 139.93 36.77 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.115 1.51 . . . . 0.0 109.913 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.2 29.2 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 -175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.89 85.21 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.57 17.06 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 119.993 -1.887 . . . . 0.0 108.008 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.17 79.19 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.61 70.78 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.14 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.31 70.64 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.437 1.113 . . . . 0.0 110.706 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.66 51.53 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.0 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.95 45.29 18.41 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.524 1.965 . . . . 0.0 111.204 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.21 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.149 -2.358 . . . . 0.0 106.158 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.48 8.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 126.067 2.105 . . . . 0.0 109.515 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 143.03 26.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.185 1.469 . . . . 0.0 109.242 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.17 10.62 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.1 126.73 52.32 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.14 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.725 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.391 2.932 . . . . 0.0 105.885 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.503 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.88 28.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.143 0.496 . . . . 0.0 109.853 178.472 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.428 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.613 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.35 39.2 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -115.82 169.79 8.95 Favored 'General case' 0 C--O 1.273 2.312 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.519 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 75.25 113.51 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 O-C-N 125.804 1.94 . . . . 0.0 109.826 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -139.55 22.35 2.52 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 113.764 -1.562 . . . . 0.0 108.85 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.513 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -159.93 176.46 36.65 Favored Glycine 0 C--O 1.244 0.735 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.073 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.456 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.388 179.133 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.015 2.697 . . . . 0.0 108.959 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.511 2.616 1 O-C-N 130.409 4.818 . . . . 0.0 108.788 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.539 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.51 41.23 Favored 'General case' 0 N--CA 1.505 2.304 1 O-C-N 129.394 4.183 . . . . 0.0 108.019 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.17 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.063 0.852 . . . . 0.0 112.581 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.02 30.18 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.83 -2.348 . . . . 0.0 111.955 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.51 80.34 Favored Glycine 0 C--N 1.297 -1.593 0 O-C-N 120.089 -1.632 . . . . 0.0 116.144 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.1 34.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.77 55.32 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.553 2.408 . . . . 0.0 106.031 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 127.559 3.037 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.71 36.75 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.169 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.03 44.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.355 -2.259 . . . . 0.0 108.438 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.27 44.6 Favored 'General case' 0 N--CA 1.498 1.973 1 O-C-N 129.205 4.066 . . . . 0.0 103.601 173.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.6 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.689 3.118 . . . . 0.0 111.204 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.92 144.49 37.55 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.327 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.44 39.25 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 122.532 2.155 . . . . 0.0 111.937 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.09 59.13 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.867 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.49 47.42 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.35 -1.74 . . . . 0.0 109.865 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.37 21.29 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.25 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.206 2.816 . . . . 0.0 110.385 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.362 -0.836 . . . . 0.0 110.729 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.44 86.96 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 111.484 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.45 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 125.072 1.482 . . . . 0.0 109.258 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.98 86.94 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.999 0.363 . . . . 0.0 111.189 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 120.406 -1.433 . . . . 0.0 110.781 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.4 77.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.62 79.15 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.467 2.556 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.51 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.118 2.69 . . . . 0.0 113.926 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.932 2.333 . . . . 0.0 118.932 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.992 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.9 79.46 Favored 'Trans proline' 0 C--O 1.26 1.605 0 C-N-CA 123.155 2.57 . . . . 0.0 110.901 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.14 92.67 Favored 'Trans proline' 0 C--O 1.262 1.695 0 O-C-N 122.861 0.927 . . . . 0.0 113.429 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.58 63.64 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.965 -1.709 . . . . 0.0 112.212 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.529 -1.357 . . . . 0.0 112.061 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.87 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.327 2.013 . . . . 0.0 115.654 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.97 23.96 Favored 'General case' 0 C--O 1.296 3.537 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.07 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.494 1.043 . . . . 0.0 109.955 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.75 72.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 125.21 1.568 . . . . 0.0 111.925 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.05 46.04 19.33 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.775 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.95 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 128.34 2.876 . . . . 0.0 117.5 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.03 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.044 1.465 . . . . 0.0 109.955 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.28 29.46 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.92 85.24 Favored Glycine 0 CA--C 1.492 -1.386 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.14 0 O-C-N 119.956 -1.908 . . . . 0.0 108.012 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.56 11.67 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.16 79.1 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.168 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.36 70.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.476 1.131 . . . . 0.0 110.698 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.65 51.51 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.651 -1.166 . . . . 0.0 112.972 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.4 18.44 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.588 1.994 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 CA-C-O 115.173 -2.346 . . . . 0.0 106.171 175.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.099 2.124 . . . . 0.0 109.502 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 11.9 ttpt -54.78 143.02 26.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.2 1.476 . . . . 0.0 109.271 -176.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.17 10.61 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.51 34.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.687 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.68 19.05 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.738 -2.554 . . . . 0.0 105.727 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.424 2.953 . . . . 0.0 105.905 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.77 30.76 Favored 'General case' 0 C--O 1.281 2.757 0 CA-C-O 117.625 -1.179 . . . . 0.0 111.472 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.07 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.212 0.53 . . . . 0.0 109.83 178.432 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.613 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.416 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -128.09 104.29 7.69 Favored 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.402 -3.19 . . . . 0.0 105.512 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -67.15 132.38 47.7 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 125.808 1.942 . . . . 0.0 109.83 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -66.26 146.61 54.41 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.884 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.63 140.64 15.14 Favored Glycine 0 C--O 1.244 0.737 0 CA-C-N 114.635 -1.166 . . . . 0.0 115.074 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.475 0 CA-C-O 116.352 -2.36 . . . . 0.0 108.359 179.265 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 126.961 2.663 . . . . 0.0 108.944 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.632 1 O-C-N 130.436 4.835 . . . . 0.0 108.786 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.2 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.35 4.156 . . . . 0.0 108.081 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.72 8.41 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.01 49.91 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.992 0.808 . . . . 0.0 112.577 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.98 30.26 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.789 -2.364 . . . . 0.0 111.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.33 Favored Glycine 0 C--N 1.297 -1.589 0 O-C-N 120.102 -1.624 . . . . 0.0 116.133 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.0 34.54 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.79 55.38 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.543 2.402 . . . . 0.0 105.991 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.53 142.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.608 3.068 . . . . 0.0 109.064 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.81 36.61 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.224 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.289 -2.291 . . . . 0.0 108.472 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.244 4.09 . . . . 0.0 103.565 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 O-C-N 127.708 3.13 . . . . 0.0 111.201 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.04 144.47 37.71 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.145 -2.298 . . . . 0.0 106.314 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.36 39.23 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.571 2.181 . . . . 0.0 111.978 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.14 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.88 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.49 47.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.878 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.37 21.23 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.17 -37.33 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.223 2.827 . . . . 0.0 110.372 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.44 79.1 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.295 -0.878 . . . . 0.0 110.727 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.51 87.03 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 124.323 1.049 . . . . 0.0 111.525 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 125.117 1.511 . . . . 0.0 109.331 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.98 83.86 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.22 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.987 0.358 . . . . 0.0 111.199 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 120.41 -1.431 . . . . 0.0 110.797 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.56 79.41 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.494 2.569 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.688 -1.597 . . . . 0.0 111.787 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.38 17.96 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.08 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 123.079 2.672 . . . . 0.0 113.972 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.284 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.37 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.02 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.29 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.177 2.584 . . . . 0.0 110.919 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.12 92.55 Favored 'Trans proline' 0 C--O 1.262 1.713 0 C-N-CA 120.694 0.929 . . . . 0.0 113.381 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.52 63.61 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.965 -1.71 . . . . 0.0 112.175 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.477 -1.39 . . . . 0.0 112.04 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.271 1.986 . . . . 0.0 115.616 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.89 23.88 Favored 'General case' 0 C--O 1.295 3.483 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.28 50.91 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.434 1.015 . . . . 0.0 109.935 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.163 1.54 . . . . 0.0 111.898 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.68 18.92 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 112.225 -2.262 . . . . 0.0 110.78 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.01 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 128.368 2.89 . . . . 0.0 117.488 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.67 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.028 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.75 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.051 1.469 . . . . 0.0 109.974 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.89 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.68 3.585 . . . . 0.0 120.68 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.24 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.014 -1.874 . . . . 0.0 107.951 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.27 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.136 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.27 70.66 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.481 1.134 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.75 51.31 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.987 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.552 1.978 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.151 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.061 2.1 . . . . 0.0 109.531 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -54.79 143.05 26.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.227 1.489 . . . . 0.0 109.256 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.2 10.65 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.732 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.204 0 O-C-N 127.466 2.979 . . . . 0.0 105.87 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.835 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.508 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.96 28.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.225 0.535 . . . . 0.0 109.849 178.419 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.448 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.18 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -120.69 128.18 52.73 Favored 'General case' 0 C--O 1.272 2.286 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.53 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -92.97 -176.15 4.1 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 125.796 1.935 . . . . 0.0 109.8 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.06 163.86 34.89 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.828 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.42 161.11 25.28 Favored Glycine 0 C--O 1.242 0.653 0 CA-C-N 114.681 -1.145 . . . . 0.0 115.086 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.401 0 CA-C-O 116.418 -2.323 . . . . 0.0 108.36 179.237 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 126.989 2.681 . . . . 0.0 108.93 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.05 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.436 4.835 . . . . 0.0 108.793 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.24 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.479 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.5 41.24 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.453 4.221 . . . . 0.0 108.036 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.57 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.069 0.856 . . . . 0.0 112.591 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.819 -2.352 . . . . 0.0 112.051 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.52 80.36 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.148 -1.595 . . . . 0.0 116.196 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 126.649 2.468 . . . . 0.0 106.048 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.96 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 127.534 3.021 . . . . 0.0 109.058 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.221 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 115.348 -2.263 . . . . 0.0 108.414 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.42 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.255 4.097 . . . . 0.0 103.561 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.229 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.73 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.155 -2.293 . . . . 0.0 106.357 174.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.538 2.159 . . . . 0.0 111.975 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.888 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.878 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.4 21.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.31 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.132 2.77 . . . . 0.0 110.331 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.36 -0.838 . . . . 0.0 110.736 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.46 86.84 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 124.346 1.059 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.48 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.093 1.496 . . . . 0.0 109.318 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.96 83.67 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.762 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.1 87.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 118.027 0.376 . . . . 0.0 111.264 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.383 -1.448 . . . . 0.0 110.816 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.42 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.28 -48.57 79.32 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.473 2.559 . . . . 0.0 108.985 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.72 66.52 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.767 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.95 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.127 2.694 . . . . 0.0 113.952 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.79 83.48 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.83 -1.148 . . . . 0.0 110.999 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.5 Favored 'Trans proline' 0 C--O 1.259 1.564 0 C-N-CA 123.109 2.539 . . . . 0.0 110.933 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.1 92.59 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 120.703 0.936 . . . . 0.0 113.384 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 120.004 -1.685 . . . . 0.0 112.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.9 -10.43 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.52 -1.363 . . . . 0.0 112.005 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.344 2.021 . . . . 0.0 115.657 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.53 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.437 1.017 . . . . 0.0 109.974 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.142 1.526 . . . . 0.0 111.9 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.64 18.9 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.52 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.817 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.52 61.0 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.354 2.883 . . . . 0.0 117.511 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 174.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.788 -1.101 . . . . 0.0 109.988 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.73 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.062 1.476 . . . . 0.0 109.949 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.17 29.32 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.89 85.19 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.53 17.07 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 119.989 -1.889 . . . . 0.0 107.975 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.63 11.61 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.27 79.42 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.311 -1.756 . . . . 0.0 112.205 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.34 70.53 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.494 1.14 . . . . 0.0 110.712 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.67 51.43 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.964 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.43 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.559 1.981 . . . . 0.0 111.162 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.37 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.164 -2.35 . . . . 0.0 106.208 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 0.0 109.517 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -54.73 143.02 26.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.21 1.481 . . . . 0.0 109.236 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.14 10.61 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 118.272 -0.871 . . . . 0.0 108.679 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.709 -2.567 . . . . 0.0 105.715 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 127.397 2.936 . . . . 0.0 105.865 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.501 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.491 . . . . 0.0 109.877 178.439 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 73' ' ' LEU . . . -96.06 137.72 34.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -49.06 -23.19 1.09 Allowed 'General case' 0 C--O 1.272 2.265 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.492 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 75.53 64.94 0.06 Allowed 'General case' 0 C--N 1.293 -1.88 0 O-C-N 125.809 1.943 . . . . 0.0 109.853 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 66.9 158.06 0.12 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.812 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.54 178.36 37.15 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-N 114.662 -1.154 . . . . 0.0 115.041 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.451 0 CA-C-O 116.396 -2.336 . . . . 0.0 108.4 179.272 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.991 2.682 . . . . 0.0 108.901 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.14 49.53 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.478 4.861 . . . . 0.0 108.749 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 113.419 -3.182 . . . . 0.0 105.514 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.06 127.52 41.18 Favored 'General case' 0 N--CA 1.505 2.277 1 O-C-N 129.379 4.175 . . . . 0.0 108.007 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.71 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.028 0.83 . . . . 0.0 112.592 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.832 -2.347 . . . . 0.0 111.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.182 -1.574 . . . . 0.0 116.116 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.82 55.32 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.613 2.445 . . . . 0.0 106.0 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.96 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.596 3.06 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.76 36.71 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.211 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.01 44.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.406 -2.235 . . . . 0.0 108.463 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.5 2.033 1 O-C-N 129.167 4.042 . . . . 0.0 103.572 174.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.62 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.195 0 O-C-N 127.698 3.124 . . . . 0.0 111.22 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 112.183 -2.28 . . . . 0.0 106.316 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.5 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 122.566 2.178 . . . . 0.0 112.013 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.82 -8.17 59.12 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.87 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.898 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.185 2.803 . . . . 0.0 110.365 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.47 79.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.354 -0.841 . . . . 0.0 110.735 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.03 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.342 1.057 . . . . 0.0 111.474 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.059 1.474 . . . . 0.0 109.329 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.97 83.65 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.29 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 118.006 0.366 . . . . 0.0 111.201 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.363 -1.461 . . . . 0.0 110.796 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.16 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.512 2.577 . . . . 0.0 109.031 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.71 66.45 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.77 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.09 2.677 . . . . 0.0 113.959 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.46 90.1 Favored Glycine 0 CA--C 1.478 -2.261 0 N-CA-C 118.849 2.299 . . . . 0.0 118.849 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.042 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.89 79.31 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.097 2.531 . . . . 0.0 110.914 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.71 Favored 'Trans proline' 0 C--O 1.261 1.665 0 C-N-CA 120.684 0.923 . . . . 0.0 113.486 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.976 -1.702 . . . . 0.0 112.237 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.78 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.474 -1.392 . . . . 0.0 112.052 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.7 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.624 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.96 24.02 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.25 51.02 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.48 1.036 . . . . 0.0 109.99 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.89 72.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.115 1.51 . . . . 0.0 111.893 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.31 129.66 18.85 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.01 19.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.783 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.53 61.07 Favored Glycine 0 N--CA 1.432 -1.568 0 C-N-CA 128.335 2.874 . . . . 0.0 117.519 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 103.773 -2.677 . . . . 0.0 103.773 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.35 37.43 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.007 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 139.99 36.7 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 125.025 1.453 . . . . 0.0 109.955 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.21 29.7 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.89 85.24 Favored Glycine 0 CA--C 1.492 -1.404 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.6 16.98 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.99 -1.888 . . . . 0.0 108.003 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.23 79.41 Favored 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.268 2.063 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.158 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.29 70.49 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.415 1.102 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.71 51.37 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.35 18.55 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 121.574 1.988 . . . . 0.0 111.216 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.47 30.41 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 CA-C-O 115.136 -2.364 . . . . 0.0 106.19 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.047 2.092 . . . . 0.0 109.482 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.197 1.475 . . . . 0.0 109.299 -176.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.668 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 114.679 -2.582 . . . . 0.0 105.733 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 127.451 2.97 . . . . 0.0 105.874 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.463 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 175.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.147 0.499 . . . . 0.0 109.842 178.445 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.21 38.14 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -93.42 -57.33 2.63 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.484 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 68.9 133.81 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.896 0 O-C-N 125.826 1.954 . . . . 0.0 109.881 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -153.45 166.08 33.8 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.825 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.84 -90.56 2.14 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 114.653 -1.158 . . . . 0.0 115.054 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.391 -2.338 . . . . 0.0 108.403 179.295 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.26 31.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 127.006 2.691 . . . . 0.0 108.909 178.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.456 4.847 . . . . 0.0 108.807 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.531 175.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.387 4.179 . . . . 0.0 108.072 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.77 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.078 0.861 . . . . 0.0 112.581 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 115.771 -2.372 . . . . 0.0 111.948 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.622 0 O-C-N 120.127 -1.608 . . . . 0.0 116.135 179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.582 2.426 . . . . 0.0 106.025 176.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.547 3.029 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.82 36.62 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.289 -1.764 . . . . 0.0 108.215 178.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.425 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.27 44.61 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 129.209 4.068 . . . . 0.0 103.542 174.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.59 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.675 3.109 . . . . 0.0 111.194 -177.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.55 37.7 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.282 174.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.47 39.61 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.585 2.19 . . . . 0.0 111.961 177.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.873 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.876 -179.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.43 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.171 2.794 . . . . 0.0 110.376 175.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.327 -0.858 . . . . 0.0 110.691 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.43 86.88 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.35 1.06 . . . . 0.0 111.492 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.016 1.447 . . . . 0.0 109.299 178.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.93 83.62 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.05 87.11 Favored 'General case' 0 C--O 1.279 2.606 0 CA-C-N 117.998 0.363 . . . . 0.0 111.241 176.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.32 87.04 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.38 -1.45 . . . . 0.0 110.784 176.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.4 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.476 2.56 . . . . 0.0 109.012 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.719 179.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.656 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.169 2.713 . . . . 0.0 113.941 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.31 0 N-CA-C 118.881 2.312 . . . . 0.0 118.881 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.88 83.4 Favored Pre-proline 0 C--O 1.244 0.772 0 C-N-CA 118.827 -1.149 . . . . 0.0 111.011 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.68 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.119 2.546 . . . . 0.0 110.952 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.13 92.69 Favored 'Trans proline' 0 C--O 1.262 1.699 0 C-N-CA 120.687 0.925 . . . . 0.0 113.43 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.978 -1.702 . . . . 0.0 112.217 -177.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.56 28.66 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 120.495 -1.378 . . . . 0.0 112.011 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.303 2.002 . . . . 0.0 115.643 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.455 1.025 . . . . 0.0 109.961 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.153 1.533 . . . . 0.0 111.904 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.52 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.22 -2.264 . . . . 0.0 110.789 177.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.58 61.03 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.375 2.893 . . . . 0.0 117.503 -179.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.018 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.74 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.067 1.48 . . . . 0.0 109.922 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.2 29.84 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.724 3.601 . . . . 0.0 120.724 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -177.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.015 -1.873 . . . . 0.0 108.017 176.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.49 164.55 11.67 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.127 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.56 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.454 1.121 . . . . 0.0 110.737 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.994 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.5 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.586 1.994 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.36 30.18 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.111 -2.376 . . . . 0.0 106.235 175.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.08 2.112 . . . . 0.0 109.522 -176.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.79 143.05 26.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.215 1.484 . . . . 0.0 109.251 -176.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.12 10.61 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.54 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.75 52.29 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.66 19.08 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.731 174.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.67 135.83 46.37 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 127.481 2.988 . . . . 0.0 105.877 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.86 30.91 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.512 176.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.93 28.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.167 0.508 . . . . 0.0 109.837 178.457 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.435 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.84 31.66 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . 117.39 125.97 0.0 OUTLIER 'General case' 0 C--O 1.272 2.267 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.513 -179.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -164.11 112.78 1.17 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.793 1.933 . . . . 0.0 109.835 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . 55.78 159.89 0.01 OUTLIER 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.805 -179.353 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 165.04 -169.16 39.54 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.583 -1.189 . . . . 0.0 115.066 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.435 0 CA-C-O 116.348 -2.362 . . . . 0.0 108.412 179.26 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 127.008 2.692 . . . . 0.0 108.866 178.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.471 4.857 . . . . 0.0 108.806 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.01 114.21 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.487 175.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.388 4.18 . . . . 0.0 108.058 -178.157 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.37 -6.99 49.76 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 112.599 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.799 -2.36 . . . . 0.0 112.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.5 80.32 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.146 -1.596 . . . . 0.0 116.121 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.04 34.43 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 174.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.81 55.37 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 126.587 2.429 . . . . 0.0 106.009 176.157 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.04 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 127.577 3.048 . . . . 0.0 109.037 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.75 36.74 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.01 44.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.44 -179.194 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.38 Favored 'General case' 0 N--CA 1.498 1.957 1 O-C-N 129.186 4.054 . . . . 0.0 103.597 173.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 O-C-N 127.657 3.098 . . . . 0.0 111.187 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.321 174.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.45 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.572 2.182 . . . . 0.0 111.932 177.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.12 59.12 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.899 -177.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.843 -179.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.44 21.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.173 2.796 . . . . 0.0 110.346 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.4 78.93 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.317 -0.865 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.51 86.7 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.325 1.05 . . . . 0.0 111.523 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.075 1.484 . . . . 0.0 109.299 178.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.92 83.67 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.787 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.99 86.94 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 118.027 0.376 . . . . 0.0 111.209 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 120.383 -1.448 . . . . 0.0 110.788 176.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.6 79.29 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.511 2.576 . . . . 0.0 109.028 179.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.77 66.46 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.642 -1.617 . . . . 0.0 111.758 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.44 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -175.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.49 -6.4 8.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.125 2.693 . . . . 0.0 113.984 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.828 2.291 . . . . 0.0 118.828 176.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.84 83.28 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.036 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.9 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.15 2.567 . . . . 0.0 110.894 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.711 0 O-C-N 122.862 0.927 . . . . 0.0 113.413 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 119.961 -1.712 . . . . 0.0 112.205 -177.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.45 28.89 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.451 -1.406 . . . . 0.0 111.989 178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.322 2.01 . . . . 0.0 115.638 -177.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.441 1.019 . . . . 0.0 109.933 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.16 1.537 . . . . 0.0 111.882 -177.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.04 19.44 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.264 -2.244 . . . . 0.0 110.785 177.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.34 2.876 . . . . 0.0 117.522 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.4 37.47 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.026 -175.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.71 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.061 1.475 . . . . 0.0 109.972 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.21 29.95 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.696 3.591 . . . . 0.0 120.696 -175.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.25 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.104 1.201 . . . . 0.0 116.104 -177.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 119.986 -1.891 . . . . 0.0 107.946 176.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.157 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.19 79.38 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.342 -1.743 . . . . 0.0 112.149 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.38 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.388 1.089 . . . . 0.0 110.641 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.73 51.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.989 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.33 18.52 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.557 1.98 . . . . 0.0 111.168 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.075 0 CA-C-O 115.142 -2.361 . . . . 0.0 106.137 175.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.084 2.115 . . . . 0.0 109.552 -176.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.448 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 0.5 OUTLIER -54.71 143.06 26.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 123.257 1.503 . . . . 0.0 109.28 -176.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.85 19.2 10.68 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.46 34.68 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.7 52.19 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.748 174.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 127.388 2.93 . . . . 0.0 105.862 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.571 -1.204 . . . . 0.0 111.507 176.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.187 0.518 . . . . 0.0 109.866 178.394 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.448 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.74 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.07 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -122.72 139.56 53.84 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.449 -179.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -90.82 3.24 54.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 125.763 1.914 . . . . 0.0 109.806 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' GLY . . . 60.63 -75.69 0.03 OUTLIER 'General case' 0 C--O 1.246 0.896 0 CA-C-N 113.795 -1.548 . . . . 0.0 108.848 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 126.44 -173.17 18.08 Favored Glycine 0 C--O 1.243 0.695 0 CA-C-N 114.671 -1.149 . . . . 0.0 115.088 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.413 0 CA-C-O 116.416 -2.324 . . . . 0.0 108.382 179.18 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.31 31.7 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.972 2.67 . . . . 0.0 108.921 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.443 4.839 . . . . 0.0 108.773 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.16 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.514 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.53 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.386 4.179 . . . . 0.0 108.025 -178.136 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.62 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.994 0.809 . . . . 0.0 112.597 -177.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.05 30.06 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.802 -2.359 . . . . 0.0 112.011 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.099 -1.625 . . . . 0.0 116.122 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.74 55.36 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.637 2.461 . . . . 0.0 106.04 176.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 127.552 3.032 . . . . 0.0 109.003 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.68 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.317 -1.753 . . . . 0.0 108.217 178.12 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.24 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.436 -179.198 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.02 1 O-C-N 129.196 4.06 . . . . 0.0 103.548 173.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.63 15.72 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.668 3.105 . . . . 0.0 111.215 -177.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.345 174.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.48 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 122.562 2.174 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.843 -177.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.858 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 127.198 2.811 . . . . 0.0 110.362 175.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.401 -0.812 . . . . 0.0 110.724 177.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.48 86.87 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 124.307 1.043 . . . . 0.0 111.549 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.47 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.051 1.47 . . . . 0.0 109.329 178.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -38.0 83.86 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.791 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.97 87.0 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 118.021 0.373 . . . . 0.0 111.248 176.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.35 -37.3 87.03 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 120.377 -1.452 . . . . 0.0 110.81 176.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.56 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.54 79.6 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.579 2.609 . . . . 0.0 109.003 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.68 66.67 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.705 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.44 17.94 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.113 2.688 . . . . 0.0 113.962 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.066 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.92 79.57 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.121 2.548 . . . . 0.0 110.898 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 122.878 0.936 . . . . 0.0 113.448 -179.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.32 -15.51 63.59 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 119.983 -1.698 . . . . 0.0 112.216 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.42 28.96 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.504 -1.372 . . . . 0.0 112.047 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.289 1.995 . . . . 0.0 115.609 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 24.0 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.63 130.27 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.483 1.038 . . . . 0.0 109.952 -177.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 O-C-N 125.177 1.548 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.7 18.94 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.07 19.24 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 112.259 -2.246 . . . . 0.0 110.797 177.402 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.52 60.93 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.324 2.869 . . . . 0.0 117.474 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.024 -175.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.74 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.042 1.463 . . . . 0.0 109.924 -177.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.23 29.1 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.26 Favored Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.315 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.003 -1.881 . . . . 0.0 107.996 176.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.22 79.34 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.175 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.23 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.455 1.121 . . . . 0.0 110.747 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.977 179.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.38 18.51 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 121.521 1.964 . . . . 0.0 111.233 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.45 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.166 -2.35 . . . . 0.0 106.135 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 126.106 2.129 . . . . 0.0 109.482 -176.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -54.77 143.02 26.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.221 1.486 . . . . 0.0 109.273 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.21 10.65 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.56 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 118.275 -0.869 . . . . 0.0 108.688 175.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.61 19.15 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.721 175.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.352 2.908 . . . . 0.0 105.883 177.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.863 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.533 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.234 0.54 . . . . 0.0 109.787 178.487 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.74 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.25 32.51 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' C ' ' N ' ' A' ' 74' ' ' ARG . . . -130.12 130.97 45.47 Favored 'General case' 0 C--O 1.272 2.251 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.45 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -62.16 -41.47 98.33 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.828 1.955 . . . . 0.0 109.838 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 72' ' ' ARG . . . 43.83 69.05 0.44 Allowed 'General case' 0 C--O 1.246 0.882 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.852 -179.359 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.63 177.85 45.8 Favored Glycine 0 C--O 1.243 0.718 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.067 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 CA-C-O 116.432 -2.316 . . . . 0.0 108.388 179.369 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 127.009 2.693 . . . . 0.0 108.921 178.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 173.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.23 49.46 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.472 4.857 . . . . 0.0 108.773 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.49 41.2 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.396 4.185 . . . . 0.0 108.034 -178.162 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.79 8.35 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.829 -1.082 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.98 49.85 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.036 0.835 . . . . 0.0 112.575 -177.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.97 30.3 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 115.844 -2.342 . . . . 0.0 112.02 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.37 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.171 -1.58 . . . . 0.0 116.077 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.09 34.35 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.76 55.29 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.616 2.447 . . . . 0.0 106.01 176.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.04 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.042 . . . . 0.0 109.055 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.81 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.236 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.04 44.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 115.352 -2.261 . . . . 0.0 108.429 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.38 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.233 4.083 . . . . 0.0 103.539 174.01 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.717 3.136 . . . . 0.0 111.191 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.303 174.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.04 -24.35 39.66 Favored 'Trans proline' 0 C--N 1.319 -0.98 0 C-N-CA 122.513 2.142 . . . . 0.0 111.971 177.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.12 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.901 -177.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.54 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.304 -1.759 . . . . 0.0 109.883 -179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.244 2.84 . . . . 0.0 110.328 175.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.43 79.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.393 -0.817 . . . . 0.0 110.751 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.48 86.95 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 124.324 1.05 . . . . 0.0 111.5 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.48 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 125.006 1.441 . . . . 0.0 109.335 178.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.03 83.82 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.731 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.24 Favored 'General case' 0 C--O 1.279 2.611 0 CA-C-N 118.025 0.375 . . . . 0.0 111.196 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -37.42 87.41 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.415 -1.428 . . . . 0.0 110.802 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.48 77.57 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.26 -48.54 79.48 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 125.494 2.569 . . . . 0.0 108.996 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.57 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.745 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.95 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.34 8.08 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.09 2.677 . . . . 0.0 113.94 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.35 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.03 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.574 0 C-N-CA 123.117 2.545 . . . . 0.0 110.91 178.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.09 92.52 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 122.857 0.925 . . . . 0.0 113.386 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.55 63.61 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 119.937 -1.727 . . . . 0.0 112.184 -177.419 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.5 28.8 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.481 -1.387 . . . . 0.0 112.066 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.267 1.984 . . . . 0.0 115.667 -177.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.93 23.93 Favored 'General case' 0 C--O 1.295 3.5 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 172.063 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.55 130.29 50.93 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.411 1.005 . . . . 0.0 109.978 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.168 1.543 . . . . 0.0 111.906 -177.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.89 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.04 19.58 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.223 -2.262 . . . . 0.0 110.752 177.365 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.335 2.874 . . . . 0.0 117.516 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.34 34.59 Favored 'General case' 0 C--O 1.259 1.605 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 174.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.33 37.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.03 -175.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.72 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.078 1.486 . . . . 0.0 109.937 -177.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.29 29.04 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.82 85.35 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.57 165.64 16.9 Favored 'General case' 0 C--O 1.251 1.135 0 O-C-N 120.001 -1.882 . . . . 0.0 108.006 176.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 177.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.15 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.134 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.32 70.6 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.51 1.148 . . . . 0.0 110.77 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.985 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.35 18.44 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 121.536 1.971 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.187 175.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.54 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.073 2.108 . . . . 0.0 109.505 -176.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -54.78 143.06 26.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.226 1.489 . . . . 0.0 109.242 -176.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.13 10.63 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.57 34.44 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.68 19.06 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.657 -2.592 . . . . 0.0 105.759 174.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.239 0 O-C-N 127.431 2.957 . . . . 0.0 105.857 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.786 0 CA-C-O 117.604 -1.188 . . . . 0.0 111.545 176.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.618 -2.734 . . . . 0.0 103.618 175.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.138 0.494 . . . . 0.0 109.865 178.459 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.465 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.472 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.05 35.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -90.42 175.12 7.21 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.493 -178.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -77.12 148.32 36.09 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.767 1.917 . . . . 0.0 109.825 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.66 -39.35 94.12 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.881 -179.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.36 156.46 52.27 Favored Glycine 0 C--O 1.244 0.721 0 CA-C-N 114.67 -1.15 . . . . 0.0 115.07 -179.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.423 179.203 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.26 31.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 126.981 2.675 . . . . 0.0 108.916 178.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.665 1 O-C-N 130.457 4.848 . . . . 0.0 108.794 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.52 175.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.49 41.24 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.428 4.205 . . . . 0.0 108.062 -178.171 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.8 8.35 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.0 49.94 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.106 0.879 . . . . 0.0 112.614 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 115.822 -2.351 . . . . 0.0 111.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.108 -1.62 . . . . 0.0 116.132 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.578 2.424 . . . . 0.0 106.002 176.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.96 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.571 3.045 . . . . 0.0 109.027 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.237 -1.785 . . . . 0.0 108.252 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 115.38 -2.247 . . . . 0.0 108.456 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.5 Favored 'General case' 0 N--CA 1.499 2.022 1 O-C-N 129.2 4.062 . . . . 0.0 103.575 173.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.747 3.154 . . . . 0.0 111.214 -177.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.5 37.65 Favored Pre-proline 0 C--N 1.313 -0.991 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.327 174.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.48 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.565 2.176 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.2 59.16 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.913 -177.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.53 47.49 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.908 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.43 21.18 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 127.165 2.791 . . . . 0.0 110.374 175.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.46 79.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 176.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.95 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.331 1.052 . . . . 0.0 111.534 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.108 1.505 . . . . 0.0 109.362 178.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.94 83.63 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.26 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-N 117.974 0.352 . . . . 0.0 111.243 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.35 87.18 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 120.34 -1.475 . . . . 0.0 110.776 176.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.46 77.48 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.57 79.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.512 2.577 . . . . 0.0 109.035 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.77 66.58 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.765 179.14 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.5 -6.42 8.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.13 2.695 . . . . 0.0 114.009 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.14 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.891 2.316 . . . . 0.0 118.891 176.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.64 124.84 83.49 Favored Pre-proline 0 C--O 1.243 0.715 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.989 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.95 79.76 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.124 2.549 . . . . 0.0 110.967 178.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.29 -32.09 92.73 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.851 0.921 . . . . 0.0 113.44 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.902 -1.749 . . . . 0.0 112.175 -177.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.535 -1.353 . . . . 0.0 112.034 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.292 1.996 . . . . 0.0 115.646 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.22 50.97 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.453 1.024 . . . . 0.0 110.018 -177.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 125.127 1.517 . . . . 0.0 111.879 -177.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 177.563 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.04 19.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 112.249 -2.251 . . . . 0.0 110.739 177.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.55 60.94 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.355 2.883 . . . . 0.0 117.524 -179.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 103.814 -2.662 . . . . 0.0 103.814 174.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.33 37.53 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.033 -175.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 125.02 1.45 . . . . 0.0 109.946 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.14 -42.19 28.73 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.23 Favored Glycine 0 CA--C 1.491 -1.426 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 120.045 -1.856 . . . . 0.0 108.012 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.27 -36.16 79.26 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.338 -1.745 . . . . 0.0 112.139 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.34 70.48 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.455 1.121 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.7 51.35 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.703 -1.142 . . . . 0.0 112.986 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 121.549 1.977 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.024 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.204 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.56 8.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 126.12 2.138 . . . . 0.0 109.488 -176.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.78 143.05 26.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 123.173 1.463 . . . . 0.0 109.273 -176.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.58 34.44 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.26 126.7 52.12 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 174.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.45 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.431 2.957 . . . . 0.0 105.874 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.573 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 175.193 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.194 0.521 . . . . 0.0 109.797 178.469 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.56 ' H72' ' S1 ' ' A' ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.98 38.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -173.06 -144.3 0.03 OUTLIER 'General case' 0 C--O 1.272 2.246 0 CA-C-O 113.358 -3.211 . . . . 0.0 105.489 -179.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 40.41 49.88 2.66 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 125.814 1.946 . . . . 0.0 109.845 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -92.58 131.06 38.02 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.865 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.19 156.9 53.5 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.07 -179.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.396 179.117 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.946 2.654 . . . . 0.0 108.956 178.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.0 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.27 49.4 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.463 4.852 . . . . 0.0 108.821 179.547 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.388 -3.196 . . . . 0.0 105.546 175.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.275 1 O-C-N 129.386 4.179 . . . . 0.0 108.049 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.96 49.6 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.055 0.847 . . . . 0.0 112.592 -177.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.845 -2.342 . . . . 0.0 111.952 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.44 80.36 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.135 -1.603 . . . . 0.0 116.164 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 174.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 126.642 2.464 . . . . 0.0 106.047 176.147 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.638 3.086 . . . . 0.0 109.058 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.76 36.64 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.218 -1.793 . . . . 0.0 108.237 178.142 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.01 44.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.26 44.58 Favored 'General case' 0 N--CA 1.499 1.995 1 O-C-N 129.194 4.058 . . . . 0.0 103.539 173.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.63 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 O-C-N 127.697 3.123 . . . . 0.0 111.205 -177.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.46 37.62 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.171 -2.286 . . . . 0.0 106.312 174.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.35 39.37 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.524 2.149 . . . . 0.0 111.987 177.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.889 -177.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.54 47.44 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.835 -179.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.46 21.24 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.31 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.134 2.771 . . . . 0.0 110.419 175.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.51 79.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.342 -0.849 . . . . 0.0 110.763 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.18 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.306 1.042 . . . . 0.0 111.524 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.093 1.495 . . . . 0.0 109.322 178.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.91 Favored 'General case' 0 C--O 1.255 1.383 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.944 0.338 . . . . 0.0 111.212 176.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.424 -1.422 . . . . 0.0 110.77 176.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.56 79.44 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.512 2.577 . . . . 0.0 108.991 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.72 66.37 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.781 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.679 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.39 8.11 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.101 2.682 . . . . 0.0 113.957 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.37 90.12 Favored Glycine 0 CA--C 1.477 -2.323 0 N-CA-C 118.895 2.318 . . . . 0.0 118.895 176.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 118.843 -1.143 . . . . 0.0 111.014 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.03 136.98 79.89 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.187 2.591 . . . . 0.0 110.907 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.21 92.9 Favored 'Trans proline' 0 C--O 1.261 1.674 0 C-N-CA 120.703 0.935 . . . . 0.0 113.42 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.974 -1.703 . . . . 0.0 112.202 -177.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.495 -1.378 . . . . 0.0 112.021 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 124.297 1.998 . . . . 0.0 115.645 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 172.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 50.98 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 119.467 1.031 . . . . 0.0 109.993 -177.52 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.8 72.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 125.166 1.541 . . . . 0.0 111.902 -177.495 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.66 18.96 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.786 177.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.58 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.371 2.891 . . . . 0.0 117.536 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.43 37.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.786 -1.102 . . . . 0.0 110.006 -175.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.73 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.063 1.477 . . . . 0.0 109.936 -177.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.23 29.91 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.662 3.578 . . . . 0.0 120.662 -175.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.3 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.61 16.98 Favored 'General case' 0 C--O 1.25 1.124 0 O-C-N 120.016 -1.873 . . . . 0.0 108.016 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.24 79.37 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.163 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.57 70.75 Favored 'General case' 0 C--O 1.268 2.046 0 C-N-CA 117.339 -1.744 . . . . 0.0 112.116 -179.479 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.27 70.68 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.505 1.145 . . . . 0.0 110.713 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.967 179.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.35 18.46 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.545 1.975 . . . . 0.0 111.173 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.45 30.39 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 CA-C-O 115.099 -2.381 . . . . 0.0 106.2 175.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.077 2.111 . . . . 0.0 109.51 -176.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 143.02 26.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 123.198 1.475 . . . . 0.0 109.268 -176.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.51 34.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.69 52.17 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.67 19.07 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.697 -2.573 . . . . 0.0 105.704 174.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.78 46.44 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.442 2.964 . . . . 0.0 105.871 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.809 0 CA-C-O 117.586 -1.197 . . . . 0.0 111.531 176.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.607 -2.738 . . . . 0.0 103.607 175.103 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 178.461 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.35 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -83.58 -79.39 0.2 Allowed 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.498 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 59.2 -179.84 0.08 Allowed 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.828 1.955 . . . . 0.0 109.834 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 69.55 46.25 0.74 Allowed 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.821 -179.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -85.65 -175.51 50.19 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.092 -179.359 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 CA-C-O 116.37 -2.35 . . . . 0.0 108.33 179.183 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.954 2.659 . . . . 0.0 108.951 178.273 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.23 49.44 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.46 4.85 . . . . 0.0 108.81 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.14 114.25 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.431 -3.176 . . . . 0.0 105.501 175.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.45 41.25 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.406 4.191 . . . . 0.0 108.042 -178.117 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.8 8.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.53 -6.91 49.47 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 124.061 0.851 . . . . 0.0 112.601 -177.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.803 -2.359 . . . . 0.0 112.003 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.583 0 O-C-N 120.15 -1.594 . . . . 0.0 116.116 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.09 34.4 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.74 55.32 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.641 2.463 . . . . 0.0 106.028 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 127.62 3.075 . . . . 0.0 109.06 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.81 36.57 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.268 178.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.0 44.31 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.359 -2.257 . . . . 0.0 108.432 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.223 4.077 . . . . 0.0 103.565 174.003 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.04 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 O-C-N 127.691 3.119 . . . . 0.0 111.181 -177.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.55 37.86 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.133 -2.303 . . . . 0.0 106.306 174.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.533 2.155 . . . . 0.0 111.98 177.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.15 59.12 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.922 -177.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.87 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.37 21.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.17 2.794 . . . . 0.0 110.311 175.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.375 -0.828 . . . . 0.0 110.751 176.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.41 87.05 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.301 1.04 . . . . 0.0 111.531 -179.641 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 178.498 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.87 -37.88 83.65 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.01 86.96 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 117.987 0.358 . . . . 0.0 111.225 176.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.422 -1.424 . . . . 0.0 110.816 176.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.52 77.61 Favored 'Isoleucine or valine' 0 C--O 1.253 1.252 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.62 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.458 2.552 . . . . 0.0 108.973 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.74 66.49 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.694 179.189 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.47 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 -175.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 123.092 2.678 . . . . 0.0 113.947 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.34 90.13 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.838 2.295 . . . . 0.0 118.838 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.36 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.763 -1.175 . . . . 0.0 111.01 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.93 79.62 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.106 2.538 . . . . 0.0 110.936 178.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.662 0 O-C-N 122.872 0.933 . . . . 0.0 113.421 -179.313 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.948 -1.72 . . . . 0.0 112.21 -177.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.44 28.86 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.527 -1.358 . . . . 0.0 112.048 178.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.88 129.77 34.76 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.308 2.004 . . . . 0.0 115.615 -177.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.98 24.0 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 172.097 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.26 51.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.443 1.02 . . . . 0.0 110.009 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.188 1.555 . . . . 0.0 111.891 -177.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.92 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.03 19.38 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.262 -2.244 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.5 61.05 Favored Glycine 0 N--CA 1.432 -1.587 0 C-N-CA 128.34 2.876 . . . . 0.0 117.503 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.688 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.086 -175.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.109 1.506 . . . . 0.0 109.976 -177.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.21 29.88 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.73 3.604 . . . . 0.0 120.73 -175.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.32 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 -177.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.63 16.96 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 119.962 -1.905 . . . . 0.0 107.973 176.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.64 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.119 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.19 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.82 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.356 -1.738 . . . . 0.0 112.164 -179.441 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 122.45 1.119 . . . . 0.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.47 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.976 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.39 18.36 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 121.543 1.974 . . . . 0.0 111.179 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.37 30.23 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.169 -2.348 . . . . 0.0 106.194 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.086 2.116 . . . . 0.0 109.533 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.421 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 38.9 ttpt -54.79 143.02 26.84 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.215 1.483 . . . . 0.0 109.262 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.55 34.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.722 174.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.76 46.45 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 127.405 2.94 . . . . 0.0 105.871 177.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.82 30.84 Favored 'General case' 0 C--O 1.283 2.829 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.51 176.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.186 0.517 . . . . 0.0 109.846 178.389 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.408 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.497 ' O ' ' H92' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.7 36.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -84.47 -151.17 0.12 Allowed 'General case' 0 C--O 1.272 2.237 0 CA-C-O 113.381 -3.2 . . . . 0.0 105.501 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -156.8 136.06 12.06 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.841 1.963 . . . . 0.0 109.792 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 49.44 -142.25 0.6 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.903 -179.424 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -174.01 -156.58 13.8 Favored Glycine 0 C--O 1.243 0.7 0 CA-C-N 114.668 -1.151 . . . . 0.0 115.117 -179.413 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.4 0 CA-C-O 116.382 -2.343 . . . . 0.0 108.373 179.219 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 126.987 2.679 . . . . 0.0 108.964 178.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.21 162.98 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 CA-C-O 115.941 -1.98 . . . . 0.0 105.662 173.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.18 49.47 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.486 4.866 . . . . 0.0 108.816 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.484 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.366 4.166 . . . . 0.0 108.077 -178.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.54 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.049 0.843 . . . . 0.0 112.608 -177.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.06 30.03 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.779 -2.368 . . . . 0.0 111.967 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.619 0 O-C-N 120.144 -1.597 . . . . 0.0 116.121 179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.35 138.11 34.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.76 55.31 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.617 2.448 . . . . 0.0 106.034 176.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.97 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.609 3.068 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.249 -1.78 . . . . 0.0 108.254 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 115.315 -2.279 . . . . 0.0 108.464 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.26 4.1 . . . . 0.0 103.601 173.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.68 15.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.746 3.154 . . . . 0.0 111.188 -177.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.314 174.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.45 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.611 2.207 . . . . 0.0 111.978 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.906 -177.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.59 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.876 -179.063 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.43 21.27 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.19 2.806 . . . . 0.0 110.356 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.41 79.32 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.347 -0.845 . . . . 0.0 110.717 177.031 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.53 86.94 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 124.384 1.074 . . . . 0.0 111.48 -179.628 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 125.058 1.474 . . . . 0.0 109.266 178.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.71 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.802 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.23 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 117.94 0.336 . . . . 0.0 111.237 176.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.434 -1.416 . . . . 0.0 110.799 176.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.47 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.186 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.55 79.52 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.531 2.586 . . . . 0.0 108.985 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.73 66.61 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 113.644 -1.616 . . . . 0.0 111.732 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.689 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.31 8.11 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.136 2.698 . . . . 0.0 113.963 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.32 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.784 -1.167 . . . . 0.0 110.985 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.258 1.525 0 C-N-CA 123.141 2.56 . . . . 0.0 110.928 178.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.12 92.7 Favored 'Trans proline' 0 C--O 1.261 1.673 0 C-N-CA 120.678 0.919 . . . . 0.0 113.428 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 119.999 -1.688 . . . . 0.0 112.183 -177.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.78 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.463 -1.398 . . . . 0.0 112.029 178.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.318 2.008 . . . . 0.0 115.635 -177.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.98 24.01 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.907 -2.256 . . . . 0.0 104.907 172.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.28 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.461 1.028 . . . . 0.0 109.993 -177.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.154 1.534 . . . . 0.0 111.926 -177.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.68 18.93 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.02 19.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.736 177.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.55 61.06 Favored Glycine 0 N--CA 1.432 -1.617 0 C-N-CA 128.387 2.899 . . . . 0.0 117.526 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.67 46.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 174.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.048 -175.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.0 36.77 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.053 1.471 . . . . 0.0 109.926 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.25 29.32 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 120.703 3.594 . . . . 0.0 120.703 -175.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.367 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 120.038 -1.86 . . . . 0.0 107.985 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.53 11.69 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.23 79.25 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.65 70.82 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.314 -1.755 . . . . 0.0 112.16 -179.449 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.46 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.415 1.102 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.7 51.38 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.953 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.34 18.43 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 121.558 1.981 . . . . 0.0 111.196 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.056 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.21 175.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.099 2.124 . . . . 0.0 109.522 -176.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 18.6 ptpt -54.76 143.02 26.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.235 1.493 . . . . 0.0 109.24 -176.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.18 10.61 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 174.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.71 52.15 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.052 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.74 46.49 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.437 2.961 . . . . 0.0 105.89 177.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.89 Favored 'General case' 0 C--O 1.282 2.807 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.487 176.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.194 0.521 . . . . 0.0 109.827 178.453 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.497 ' H92' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.38 36.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -126.01 115.27 19.62 Favored 'General case' 0 C--O 1.272 2.26 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.494 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -79.3 112.83 16.92 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.796 1.935 . . . . 0.0 109.826 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -110.13 129.78 55.65 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 113.749 -1.569 . . . . 0.0 108.856 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.19 -173.28 33.46 Favored Glycine 0 C--O 1.243 0.661 0 CA-C-N 114.648 -1.16 . . . . 0.0 115.055 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 CA-C-O 116.386 -2.341 . . . . 0.0 108.402 179.156 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.99 2.681 . . . . 0.0 108.946 178.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 CA-C-O 115.947 -1.978 . . . . 0.0 105.671 173.371 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.505 4.878 . . . . 0.0 108.776 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.499 175.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.406 4.192 . . . . 0.0 108.042 -178.157 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.79 8.36 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.795 -1.097 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.94 49.62 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.082 0.864 . . . . 0.0 112.609 -178.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 115.839 -2.344 . . . . 0.0 111.986 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.51 80.29 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.092 -1.63 . . . . 0.0 116.118 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.07 34.46 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.79 55.33 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 126.626 2.454 . . . . 0.0 106.019 176.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.642 3.089 . . . . 0.0 109.007 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.63 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 117.271 -1.772 . . . . 0.0 108.192 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.463 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.188 4.055 . . . . 0.0 103.577 174.014 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.66 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.661 3.101 . . . . 0.0 111.231 -177.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.71 Favored Pre-proline 0 C--N 1.314 -0.977 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.317 174.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.5 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.539 2.159 . . . . 0.0 111.934 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.92 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.51 47.44 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.864 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.32 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 127.258 2.849 . . . . 0.0 110.362 175.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.49 78.95 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.327 -0.858 . . . . 0.0 110.663 177.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.47 87.23 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.3 1.04 . . . . 0.0 111.515 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.096 1.498 . . . . 0.0 109.32 178.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.01 83.79 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.35 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 117.985 0.357 . . . . 0.0 111.226 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.33 87.09 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 120.363 -1.461 . . . . 0.0 110.797 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.05 -39.43 77.27 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.15 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.531 2.586 . . . . 0.0 109.026 179.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.44 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.724 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.34 17.94 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -175.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.081 2.673 . . . . 0.0 113.956 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.36 90.15 Favored Glycine 0 CA--C 1.478 -2.245 0 N-CA-C 118.864 2.305 . . . . 0.0 118.864 176.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.9 83.37 Favored Pre-proline 0 C--O 1.243 0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.045 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.572 0 C-N-CA 123.151 2.568 . . . . 0.0 110.913 178.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.693 0 C-N-CA 120.675 0.917 . . . . 0.0 113.463 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.789 0 O-C-N 120.01 -1.681 . . . . 0.0 112.224 -177.466 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.46 28.83 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.478 -1.389 . . . . 0.0 112.011 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.304 2.002 . . . . 0.0 115.64 -177.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.295 3.496 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 172.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.26 50.98 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.464 1.029 . . . . 0.0 109.988 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.189 1.556 . . . . 0.0 111.904 -177.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.53 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.738 177.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.551 0 C-N-CA 128.328 2.87 . . . . 0.0 117.48 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.41 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.049 -175.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 125.038 1.461 . . . . 0.0 109.982 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.87 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.88 85.2 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.328 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.62 17.01 Favored 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.031 -1.864 . . . . 0.0 107.98 176.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.55 11.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.19 79.15 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.187 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.57 70.72 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 117.337 -1.745 . . . . 0.0 112.166 -179.491 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.36 70.51 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.66 51.42 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.01 179.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.35 18.29 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 121.541 1.973 . . . . 0.0 111.216 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.148 -2.358 . . . . 0.0 106.182 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.51 8.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.081 2.113 . . . . 0.0 109.515 -176.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -54.7 143.02 26.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.232 1.491 . . . . 0.0 109.284 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 179.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.65 52.08 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 175.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.6 19.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.717 -2.564 . . . . 0.0 105.689 174.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.4 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 127.42 2.95 . . . . 0.0 105.864 177.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.472 176.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.592 -2.744 . . . . 0.0 103.592 175.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.158 0.504 . . . . 0.0 109.832 178.441 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.451 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.521 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.03 32.83 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 118.92 137.09 0.0 OUTLIER 'General case' 0 C--O 1.272 2.245 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.462 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -166.5 -28.85 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.851 1.969 . . . . 0.0 109.861 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -141.35 158.04 44.4 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 113.798 -1.546 . . . . 0.0 108.836 -179.182 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 174.58 33.68 Favored Glycine 0 C--O 1.243 0.675 0 CA-C-N 114.658 -1.155 . . . . 0.0 115.09 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.462 0 CA-C-O 116.407 -2.329 . . . . 0.0 108.391 179.145 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.22 31.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 126.943 2.652 . . . . 0.0 108.901 178.322 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.513 2.705 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.511 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.505 2.281 1 O-C-N 129.413 4.196 . . . . 0.0 108.008 -178.108 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -7.0 49.89 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.05 0.844 . . . . 0.0 112.602 -177.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.23 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 115.814 -2.354 . . . . 0.0 112.023 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.4 80.4 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.122 -1.611 . . . . 0.0 116.129 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.21 138.09 34.33 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.66 2.475 . . . . 0.0 105.993 176.155 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 127.626 3.079 . . . . 0.0 109.028 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.79 36.62 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.256 178.087 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.98 44.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.158 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.29 44.66 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 129.188 4.055 . . . . 0.0 103.634 173.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.58 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.209 -177.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 112.11 -2.313 . . . . 0.0 106.317 174.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.42 39.59 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 122.59 2.193 . . . . 0.0 111.891 177.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.09 59.11 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.917 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.48 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.378 -1.729 . . . . 0.0 109.826 -179.021 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.42 21.21 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.186 2.804 . . . . 0.0 110.369 175.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.741 176.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.0 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.269 1.028 . . . . 0.0 111.504 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.44 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.043 1.464 . . . . 0.0 109.303 178.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.71 -38.03 83.7 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.21 Favored 'General case' 0 C--O 1.278 2.589 0 CA-C-N 118.032 0.378 . . . . 0.0 111.224 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.09 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.432 -1.418 . . . . 0.0 110.785 176.061 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.51 77.5 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.56 79.48 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.559 2.599 . . . . 0.0 108.991 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.73 66.68 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.639 -1.618 . . . . 0.0 111.714 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.48 17.94 Favored 'General case' 0 C--O 1.279 2.648 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -175.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.39 8.12 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 123.1 2.682 . . . . 0.0 113.976 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.252 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.741 -1.183 . . . . 0.0 111.014 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.92 79.55 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.138 2.559 . . . . 0.0 110.908 178.204 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 120.684 0.923 . . . . 0.0 113.416 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.1 -15.65 63.68 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.954 -1.716 . . . . 0.0 112.179 -177.396 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.94 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.532 -1.355 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.289 1.995 . . . . 0.0 115.601 -177.656 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.521 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 172.077 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.3 50.97 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.461 1.028 . . . . 0.0 110.001 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.176 1.547 . . . . 0.0 111.897 -177.483 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 177.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.01 19.22 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.764 177.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.433 -1.566 0 C-N-CA 128.281 2.848 . . . . 0.0 117.557 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.61 46.4 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.28 34.61 Favored 'General case' 0 C--O 1.258 1.549 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.4 37.44 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.993 -175.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.98 36.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 125.132 1.52 . . . . 0.0 109.954 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.43 Favored 'General case' 0 C--O 1.265 1.919 0 N-CA-C 120.732 3.605 . . . . 0.0 120.732 -175.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.81 85.32 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.56 17.0 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 119.981 -1.894 . . . . 0.0 107.95 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.26 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.125 -179.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.35 70.61 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.465 1.126 . . . . 0.0 110.741 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.64 51.52 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 117.69 -1.148 . . . . 0.0 113.0 179.243 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.31 18.44 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 121.582 1.992 . . . . 0.0 111.212 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.38 Favored 'Isoleucine or valine' 0 C--O 1.269 2.088 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.203 175.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.08 2.112 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 52.1 tttm -54.76 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.203 1.478 . . . . 0.0 109.277 -176.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.11 10.65 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.05 159.5 34.61 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.688 -2.577 . . . . 0.0 105.695 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.77 46.38 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.488 2.992 . . . . 0.0 105.858 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.82 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.134 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.221 0.534 . . . . 0.0 109.821 178.451 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.521 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.1 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.16 36.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -118.87 135.16 54.71 Favored 'General case' 0 C--O 1.272 2.272 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.509 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -160.86 174.58 13.64 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.801 1.938 . . . . 0.0 109.87 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -148.7 153.26 37.98 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.778 -1.556 . . . . 0.0 108.828 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.14 99.84 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-N 114.657 -1.156 . . . . 0.0 115.084 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 CA-C-O 116.388 -2.34 . . . . 0.0 108.399 179.313 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.23 31.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.968 2.668 . . . . 0.0 108.923 178.341 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.07 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 173.41 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.434 4.834 . . . . 0.0 108.772 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.436 -3.173 . . . . 0.0 105.499 175.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.47 41.21 Favored 'General case' 0 N--CA 1.505 2.283 1 O-C-N 129.403 4.19 . . . . 0.0 108.075 -178.18 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.88 49.16 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.09 0.869 . . . . 0.0 112.589 -177.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.46 15.09 29.97 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 115.816 -2.354 . . . . 0.0 111.996 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.56 80.32 Favored Glycine 0 C--N 1.298 -1.573 0 O-C-N 120.175 -1.578 . . . . 0.0 116.076 179.742 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.03 34.49 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 174.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.75 55.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 126.6 2.438 . . . . 0.0 106.032 176.153 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.95 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.616 3.073 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.64 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.215 178.116 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 115.383 -2.246 . . . . 0.0 108.457 -179.213 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.44 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.188 4.055 . . . . 0.0 103.563 174.012 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.163 0 O-C-N 127.678 3.111 . . . . 0.0 111.189 -177.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.51 37.68 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.307 174.691 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.948 0 C-N-CA 122.563 2.175 . . . . 0.0 111.957 177.669 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.14 59.14 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.91 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.892 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.38 21.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.33 77.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.254 2.846 . . . . 0.0 110.409 175.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.41 78.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.364 -0.835 . . . . 0.0 110.727 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.84 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 111.524 -179.641 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.24 -46.47 88.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 125.065 1.478 . . . . 0.0 109.293 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.82 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.775 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.19 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 117.998 0.363 . . . . 0.0 111.225 176.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.46 -1.4 . . . . 0.0 110.813 176.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.51 79.59 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.519 2.581 . . . . 0.0 109.003 179.451 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.746 179.165 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.38 17.98 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.092 2.678 . . . . 0.0 113.95 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.3 90.16 Favored Glycine 0 CA--C 1.477 -2.327 0 N-CA-C 118.915 2.326 . . . . 0.0 118.915 176.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.006 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.168 2.579 . . . . 0.0 110.975 178.14 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.69 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.887 0.941 . . . . 0.0 113.398 -179.323 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.895 -1.753 . . . . 0.0 112.245 -177.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 120.48 -1.387 . . . . 0.0 112.06 178.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.75 34.78 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 124.291 1.996 . . . . 0.0 115.632 -177.643 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.533 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 172.109 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.27 50.98 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 119.476 1.034 . . . . 0.0 109.974 -177.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 125.144 1.527 . . . . 0.0 111.906 -177.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.63 18.89 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 177.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.24 -2.255 . . . . 0.0 110.769 177.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.04 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 128.386 2.898 . . . . 0.0 117.518 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.66 46.34 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.55 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 117.757 -1.116 . . . . 0.0 110.042 -175.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.99 36.77 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.051 1.469 . . . . 0.0 109.914 -177.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.27 29.24 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.733 3.605 . . . . 0.0 120.733 -175.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.9 85.22 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.287 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 119.978 -1.895 . . . . 0.0 107.98 176.558 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.121 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.23 79.32 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.183 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.178 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.34 70.66 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.454 1.121 . . . . 0.0 110.695 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.64 51.45 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.99 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.39 18.32 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 121.577 1.989 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.44 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.163 175.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.153 2.158 . . . . 0.0 109.489 -176.818 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 143.04 26.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.257 1.503 . . . . 0.0 109.213 -176.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 179.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.72 52.24 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.63 19.13 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 114.719 -2.563 . . . . 0.0 105.736 174.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.81 46.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.41 2.944 . . . . 0.0 105.858 177.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.618 -1.182 . . . . 0.0 111.521 176.56 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.566 -2.753 . . . . 0.0 103.566 175.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.237 0.541 . . . . 0.0 109.815 178.466 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.447 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.46 37.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 128.18 158.56 0.0 OUTLIER 'General case' 0 C--O 1.273 2.297 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.521 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -163.3 -103.69 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.827 1.954 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -142.31 158.63 43.51 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.905 -179.394 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 164.87 -167.75 38.76 Favored Glycine 0 C--O 1.243 0.702 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.074 -179.349 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.536 1.393 0 CA-C-O 116.41 -2.328 . . . . 0.0 108.39 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.19 31.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.979 2.674 . . . . 0.0 108.956 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.01 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.43 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.492 4.87 . . . . 0.0 108.818 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.16 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.502 175.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.48 41.15 Favored 'General case' 0 N--CA 1.505 2.311 1 O-C-N 129.447 4.217 . . . . 0.0 108.016 -178.177 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.67 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.047 0.842 . . . . 0.0 112.624 -177.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.04 30.1 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 115.763 -2.375 . . . . 0.0 111.991 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.165 -1.584 . . . . 0.0 116.142 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.624 2.452 . . . . 0.0 106.013 176.154 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.605 3.066 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.75 36.65 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.199 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.03 44.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.373 -2.251 . . . . 0.0 108.45 -179.234 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.984 1 O-C-N 129.189 4.055 . . . . 0.0 103.564 174.025 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.62 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.677 3.111 . . . . 0.0 111.227 -177.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.6 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.351 174.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.42 39.23 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.576 2.184 . . . . 0.0 111.951 177.72 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.899 -177.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 117.344 -1.742 . . . . 0.0 109.914 -179.078 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.159 2.787 . . . . 0.0 110.363 175.759 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.38 79.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.316 -0.865 . . . . 0.0 110.704 177.026 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.4 87.0 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.251 1.02 . . . . 0.0 111.56 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.45 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.107 1.504 . . . . 0.0 109.323 178.5 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.92 83.62 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.08 87.29 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.373 -1.454 . . . . 0.0 110.799 176.02 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 125.556 2.598 . . . . 0.0 109.003 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.769 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.38 17.97 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.102 2.683 . . . . 0.0 113.984 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.44 90.07 Favored Glycine 0 CA--C 1.477 -2.33 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.524 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.028 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.91 79.33 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.134 2.556 . . . . 0.0 110.922 178.228 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.19 92.8 Favored 'Trans proline' 0 C--O 1.262 1.715 0 C-N-CA 120.704 0.936 . . . . 0.0 113.447 -179.366 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.61 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.939 -1.726 . . . . 0.0 112.184 -177.444 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.515 -1.366 . . . . 0.0 112.035 178.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.333 2.016 . . . . 0.0 115.602 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.529 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 172.065 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.23 51.0 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.477 1.035 . . . . 0.0 110.017 -177.559 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 O-C-N 125.191 1.557 . . . . 0.0 111.932 -177.509 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.431 -2.062 . . . . 0.0 105.431 177.528 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.97 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.318 -2.219 . . . . 0.0 110.74 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.52 61.02 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 128.376 2.893 . . . . 0.0 117.522 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -114.99 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.525 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.056 -175.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.115 1.509 . . . . 0.0 109.963 -177.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.2 29.33 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 120.683 3.586 . . . . 0.0 120.683 -175.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -8.79 85.29 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.329 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.044 -1.857 . . . . 0.0 108.017 176.483 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.112 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.25 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.124 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.03 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.178 -179.482 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.34 70.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.461 1.124 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.41 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.95 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 121.548 1.976 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.794 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.089 2.118 . . . . 0.0 109.472 -176.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -54.74 143.03 26.56 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.247 1.499 . . . . 0.0 109.216 -176.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.14 126.72 52.28 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 175.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.721 175.048 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.76 46.46 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 127.452 2.97 . . . . 0.0 105.87 177.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.801 0 CA-C-O 117.614 -1.184 . . . . 0.0 111.545 176.566 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 109.851 178.431 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.642 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -130.56 159.47 37.06 Favored 'General case' 0 C--O 1.273 2.293 0 CA-C-O 113.347 -3.216 . . . . 0.0 105.461 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 59.03 144.3 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.86 1.975 . . . . 0.0 109.867 -179.712 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -144.62 -39.61 0.27 Allowed 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.847 -179.45 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.09 -178.13 46.06 Favored Glycine 0 C--O 1.243 0.701 0 CA-C-N 114.665 -1.152 . . . . 0.0 115.09 -179.431 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.375 179.158 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.976 2.672 . . . . 0.0 108.921 178.307 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 173.395 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.14 49.54 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.436 4.835 . . . . 0.0 108.814 179.567 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.19 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.49 175.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.51 41.19 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.449 4.218 . . . . 0.0 108.018 -178.16 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.96 49.72 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 124.068 0.855 . . . . 0.0 112.649 -177.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.96 30.34 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.839 -2.344 . . . . 0.0 112.023 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.49 80.29 Favored Glycine 0 C--N 1.297 -1.587 0 O-C-N 120.123 -1.611 . . . . 0.0 116.112 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.05 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 174.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.633 2.458 . . . . 0.0 105.998 176.165 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.95 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 127.589 3.056 . . . . 0.0 109.026 179.67 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.61 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.2 -1.8 . . . . 0.0 108.205 178.132 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 115.368 -2.253 . . . . 0.0 108.462 -179.225 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.42 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.156 4.035 . . . . 0.0 103.569 174.007 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.674 3.109 . . . . 0.0 111.202 -177.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.5 37.73 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.15 -2.296 . . . . 0.0 106.304 174.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.43 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 122.535 2.156 . . . . 0.0 111.978 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.911 -177.518 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.861 -179.063 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 175.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 127.222 2.826 . . . . 0.0 110.372 175.755 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.32 79.12 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.384 -0.823 . . . . 0.0 110.717 176.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.57 -44.44 86.7 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 124.32 1.048 . . . . 0.0 111.499 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.5 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.083 1.49 . . . . 0.0 109.331 178.523 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.95 83.6 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.79 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.622 0 CA-C-N 118.002 0.364 . . . . 0.0 111.223 176.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.31 87.03 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.36 -1.462 . . . . 0.0 110.795 176.042 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.54 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.59 79.4 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.02 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.775 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.41 17.95 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -175.663 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.54 -6.41 8.11 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.942 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.38 90.13 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.514 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.82 83.34 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.8 -1.16 . . . . 0.0 111.011 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.87 79.21 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.163 2.575 . . . . 0.0 110.865 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.15 92.64 Favored 'Trans proline' 0 C--O 1.261 1.651 0 C-N-CA 120.706 0.937 . . . . 0.0 113.411 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.62 63.65 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.948 -1.72 . . . . 0.0 112.239 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.48 28.95 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.504 -1.373 . . . . 0.0 112.031 178.704 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.261 1.982 . . . . 0.0 115.67 -177.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.91 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.149 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.436 1.016 . . . . 0.0 109.936 -177.509 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.8 72.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.158 1.536 . . . . 0.0 111.841 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.7 19.02 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.296 -2.229 . . . . 0.0 110.764 177.348 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.432 -1.613 0 C-N-CA 128.39 2.9 . . . . 0.0 117.523 -179.469 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.581 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.35 37.45 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.994 -175.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.76 139.98 36.66 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.08 1.487 . . . . 0.0 109.966 -177.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.64 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 -175.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.23 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.341 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 120.0 -1.882 . . . . 0.0 107.979 176.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.58 11.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.125 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.22 79.33 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.211 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.183 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.28 70.62 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.417 1.103 . . . . 0.0 110.692 179.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.64 51.5 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 117.684 -1.15 . . . . 0.0 112.96 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.31 18.39 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 121.55 1.977 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.47 30.39 Favored 'Isoleucine or valine' 0 C--O 1.267 2.019 0 CA-C-O 115.197 -2.335 . . . . 0.0 106.162 175.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 126.061 2.101 . . . . 0.0 109.515 -176.809 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.42 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 18.4 ptpt -54.74 143.03 26.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.158 1.456 . . . . 0.0 109.276 -176.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 179.493 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.811 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.64 52.04 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.67 19.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 114.734 -2.555 . . . . 0.0 105.708 175.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.79 46.43 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 127.411 2.944 . . . . 0.0 105.868 177.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.805 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.495 176.567 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.182 0.515 . . . . 0.0 109.853 178.423 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.642 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.599 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.62 37.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -111.5 25.11 12.02 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.468 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 47.83 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 O-C-N 125.771 1.919 . . . . 0.0 109.848 -179.766 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -77.41 168.66 19.65 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.817 -1.538 . . . . 0.0 108.844 -179.326 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.08 168.42 37.84 Favored Glycine 0 C--O 1.244 0.731 0 CA-C-N 114.669 -1.15 . . . . 0.0 115.063 -179.382 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.41 -2.328 . . . . 0.0 108.349 179.301 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.904 2.627 . . . . 0.0 108.974 178.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 162.97 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 173.416 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.472 4.858 . . . . 0.0 108.78 179.585 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.444 -3.169 . . . . 0.0 105.478 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.48 41.26 Favored 'General case' 0 N--CA 1.505 2.299 1 O-C-N 129.372 4.17 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.78 8.37 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.01 49.94 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 124.011 0.819 . . . . 0.0 112.569 -177.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.804 -2.358 . . . . 0.0 111.975 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.46 80.34 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.124 -1.61 . . . . 0.0 116.099 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.07 34.43 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.575 2.422 . . . . 0.0 106.081 176.147 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 127.547 3.029 . . . . 0.0 109.041 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.79 36.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.245 -1.782 . . . . 0.0 108.217 178.142 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.432 -179.183 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.24 44.53 Favored 'General case' 0 N--CA 1.498 1.967 1 O-C-N 129.161 4.038 . . . . 0.0 103.577 174.007 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 O-C-N 127.752 3.157 . . . . 0.0 111.226 -177.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.72 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.333 174.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.43 39.36 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.604 2.203 . . . . 0.0 111.902 177.73 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.93 -177.51 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.55 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.9 -179.093 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.43 21.2 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.25 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 127.213 2.82 . . . . 0.0 110.392 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.698 177.011 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 124.302 1.041 . . . . 0.0 111.49 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 125.055 1.472 . . . . 0.0 109.306 178.523 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.09 87.42 Favored 'General case' 0 C--O 1.28 2.664 0 CA-C-N 117.978 0.353 . . . . 0.0 111.252 176.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.39 87.3 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.366 -1.459 . . . . 0.0 110.781 176.013 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.54 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.35 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 125.531 2.586 . . . . 0.0 109.034 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.53 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.771 179.106 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -175.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.31 8.1 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 123.145 2.702 . . . . 0.0 113.976 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.44 90.1 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.561 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.8 83.36 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 123.14 2.56 . . . . 0.0 110.908 178.245 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.15 92.83 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.857 0.925 . . . . 0.0 113.449 -179.373 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 120.01 -1.681 . . . . 0.0 112.185 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.45 28.9 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.518 -1.364 . . . . 0.0 112.012 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.311 2.005 . . . . 0.0 115.579 -177.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.295 3.476 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.07 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.426 1.012 . . . . 0.0 109.999 -177.572 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.83 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.194 1.559 . . . . 0.0 111.873 -177.456 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.7 19.0 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.543 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.96 19.51 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.266 -2.243 . . . . 0.0 110.778 177.396 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.64 61.08 Favored Glycine 0 N--CA 1.433 -1.554 0 C-N-CA 128.36 2.886 . . . . 0.0 117.51 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.653 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.39 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.044 -175.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.0 36.78 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.093 1.496 . . . . 0.0 109.943 -177.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.16 29.92 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.721 3.601 . . . . 0.0 120.721 -175.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.9 85.2 Favored Glycine 0 CA--C 1.492 -1.376 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.301 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.6 17.03 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.017 -1.872 . . . . 0.0 107.976 176.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.61 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.166 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.21 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.212 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.049 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.158 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.3 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.437 1.113 . . . . 0.0 110.725 179.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.991 179.282 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.39 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 121.549 1.977 . . . . 0.0 111.189 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.32 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.119 -2.372 . . . . 0.0 106.174 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.137 2.148 . . . . 0.0 109.53 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.77 143.01 26.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 123.234 1.492 . . . . 0.0 109.217 -176.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.418 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.48 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.16 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.63 19.11 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 114.693 -2.575 . . . . 0.0 105.758 174.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.8 46.36 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.37 2.919 . . . . 0.0 105.886 177.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.816 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.535 176.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.181 0.515 . . . . 0.0 109.822 178.468 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.599 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.557 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.14 35.56 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -121.79 78.42 1.46 Allowed 'General case' 0 C--O 1.271 2.236 0 CA-C-O 113.421 -3.18 . . . . 0.0 105.522 -179.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -48.38 153.01 0.8 Allowed 'General case' 0 C--N 1.293 -1.878 0 O-C-N 125.791 1.932 . . . . 0.0 109.826 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -144.94 161.78 38.51 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 113.763 -1.562 . . . . 0.0 108.84 -179.579 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 147.68 127.26 1.71 Allowed Glycine 0 C--O 1.244 0.738 0 CA-C-N 114.63 -1.168 . . . . 0.0 115.091 -179.473 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.398 -2.334 . . . . 0.0 108.377 179.154 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.21 31.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 127.002 2.689 . . . . 0.0 108.911 178.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.439 4.837 . . . . 0.0 108.772 179.615 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.449 175.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.5 41.22 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.418 4.198 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.93 49.45 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.082 0.864 . . . . 0.0 112.606 -177.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.79 -2.364 . . . . 0.0 111.96 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.134 -1.604 . . . . 0.0 116.111 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.08 34.39 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.82 55.34 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 126.591 2.432 . . . . 0.0 106.052 176.154 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.567 3.042 . . . . 0.0 109.048 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.273 -1.771 . . . . 0.0 108.24 178.136 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.22 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.482 -179.247 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.215 4.072 . . . . 0.0 103.564 174.001 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.198 0 O-C-N 127.658 3.099 . . . . 0.0 111.243 -177.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.53 37.67 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.354 174.696 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.548 2.165 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.875 -177.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.822 -178.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.46 21.2 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 175.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.27 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.207 2.817 . . . . 0.0 110.383 175.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.39 79.13 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.379 -0.826 . . . . 0.0 110.74 176.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.42 87.09 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.338 1.055 . . . . 0.0 111.547 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 125.017 1.448 . . . . 0.0 109.332 178.525 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.89 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.772 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.28 Favored 'General case' 0 C--O 1.278 2.593 0 CA-C-N 118.029 0.377 . . . . 0.0 111.227 176.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.28 86.93 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 120.403 -1.436 . . . . 0.0 110.818 176.039 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.55 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.67 79.06 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.537 2.589 . . . . 0.0 109.005 179.487 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.73 66.33 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.727 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.42 17.92 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 123.139 2.699 . . . . 0.0 113.965 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.021 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.567 0 C-N-CA 123.186 2.591 . . . . 0.0 110.933 178.242 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.76 Favored 'Trans proline' 0 C--O 1.263 1.73 0 C-N-CA 120.67 0.914 . . . . 0.0 113.432 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.969 -1.707 . . . . 0.0 112.204 -177.455 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.43 28.87 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.448 -1.407 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 124.32 2.01 . . . . 0.0 115.681 -177.691 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.91 23.88 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.151 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.404 1.002 . . . . 0.0 109.987 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 O-C-N 125.174 1.546 . . . . 0.0 111.872 -177.46 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.74 19.0 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.97 19.46 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.265 -2.243 . . . . 0.0 110.782 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.406 2.908 . . . . 0.0 117.515 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.72 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.594 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.512 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.704 -1.141 . . . . 0.0 110.049 -175.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 140.02 36.66 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 125.113 1.508 . . . . 0.0 109.964 -177.751 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.22 30.17 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.965 -1.903 . . . . 0.0 108.035 176.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.178 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.131 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.186 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.467 1.127 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.942 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.31 18.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.554 1.979 . . . . 0.0 111.182 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.14 -2.362 . . . . 0.0 106.175 175.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.091 2.12 . . . . 0.0 109.476 -176.784 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 76' ' ' GLY . 20.9 pttp -54.77 143.0 26.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 123.222 1.487 . . . . 0.0 109.237 -176.907 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.19 10.64 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.455 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.54 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.72 52.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.005 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.65 19.11 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.735 174.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.409 2.943 . . . . 0.0 105.866 177.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.634 -1.174 . . . . 0.0 111.505 176.54 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.078 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.159 0.504 . . . . 0.0 109.829 178.451 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.557 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.548 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 136.04 37.03 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . -128.76 157.07 42.48 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 113.425 -3.178 . . . . 0.0 105.513 177.777 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 70.86 141.6 0.05 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.773 1.92 . . . . 0.0 109.804 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -148.15 -44.16 0.16 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.882 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.34 -166.76 41.45 Favored Glycine 0 C--O 1.243 0.67 0 CA-C-N 114.635 -1.166 . . . . 0.0 115.107 -179.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 CA-C-O 116.407 -2.33 . . . . 0.0 108.339 179.226 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.946 2.654 . . . . 0.0 108.932 178.348 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.427 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.635 1 O-C-N 130.456 4.848 . . . . 0.0 108.767 179.581 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.507 175.836 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.47 41.18 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.44 4.212 . . . . 0.0 108.09 -178.166 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.856 -1.069 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.99 49.84 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.016 0.822 . . . . 0.0 112.567 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.96 30.33 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.781 -2.368 . . . . 0.0 112.016 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.611 0 O-C-N 120.126 -1.609 . . . . 0.0 116.163 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.41 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 175.054 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.74 55.31 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 126.636 2.46 . . . . 0.0 106.019 176.121 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.043 . . . . 0.0 109.062 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.75 36.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.261 -1.776 . . . . 0.0 108.226 178.147 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.347 -2.263 . . . . 0.0 108.476 -179.213 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.192 4.057 . . . . 0.0 103.622 173.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.717 3.135 . . . . 0.0 111.231 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.44 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.581 2.187 . . . . 0.0 111.919 177.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.15 59.13 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.876 -177.497 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.55 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.323 -1.751 . . . . 0.0 109.903 -179.063 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 175.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.191 2.807 . . . . 0.0 110.364 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.43 78.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 176.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.51 86.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.323 1.049 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 125.049 1.468 . . . . 0.0 109.288 178.509 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.96 83.92 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.98 87.07 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-N 118.015 0.37 . . . . 0.0 111.269 176.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.35 87.2 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 120.346 -1.471 . . . . 0.0 110.782 175.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.48 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.63 79.21 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 125.541 2.591 . . . . 0.0 109.007 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.754 179.127 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.668 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -175.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.126 2.694 . . . . 0.0 113.971 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.46 90.06 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.877 2.311 . . . . 0.0 118.877 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.244 0.784 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.038 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.91 79.56 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.173 2.582 . . . . 0.0 110.923 178.212 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.675 0 O-C-N 122.878 0.936 . . . . 0.0 113.426 -179.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.213 -177.429 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.546 -1.346 . . . . 0.0 112.013 178.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 124.305 2.002 . . . . 0.0 115.609 -177.649 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.97 24.01 Favored 'General case' 0 C--O 1.295 3.482 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.484 1.038 . . . . 0.0 109.978 -177.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.18 1.55 . . . . 0.0 111.892 -177.489 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.93 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.31 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.761 177.403 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.384 2.897 . . . . 0.0 117.519 -179.482 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.59 46.44 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.771 -2.678 . . . . 0.0 103.771 174.574 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.034 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.03 36.65 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.005 1.44 . . . . 0.0 109.966 -177.722 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.23 30.36 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.631 3.567 . . . . 0.0 120.631 -175.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.27 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 -177.311 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 119.985 -1.891 . . . . 0.0 108.025 176.49 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.16 79.22 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.166 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.64 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.161 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.53 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.455 1.121 . . . . 0.0 110.686 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.71 51.34 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.686 -1.15 . . . . 0.0 112.996 179.258 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.4 18.53 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.563 1.983 . . . . 0.0 111.192 179.808 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.34 30.18 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-O 115.118 -2.372 . . . . 0.0 106.134 175.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 126.148 2.155 . . . . 0.0 109.544 -176.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -54.78 143.06 26.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.216 1.484 . . . . 0.0 109.252 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.473 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.52 34.58 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.7 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.59 19.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.729 -2.558 . . . . 0.0 105.734 175.017 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.72 46.49 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.398 2.936 . . . . 0.0 105.855 177.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.86 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.537 176.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.537 -2.764 . . . . 0.0 103.537 175.191 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.181 0.515 . . . . 0.0 109.827 178.442 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.548 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.641 ' O ' ' H71' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.61 37.61 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -143.1 107.93 4.89 Favored 'General case' 0 C--O 1.272 2.283 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.489 -179.607 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -77.81 137.47 38.44 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.782 1.926 . . . . 0.0 109.819 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -91.05 -2.36 57.65 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.793 -1.549 . . . . 0.0 108.863 -179.272 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.61 160.62 53.75 Favored Glycine 0 C--O 1.243 0.716 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.084 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.451 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.378 179.233 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.3 31.71 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 126.928 2.642 . . . . 0.0 108.906 178.282 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.19 163.01 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.367 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.14 49.53 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.469 4.856 . . . . 0.0 108.762 179.561 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.541 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.368 4.168 . . . . 0.0 108.057 -178.153 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.7 8.41 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.829 -1.081 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.42 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.023 0.827 . . . . 0.0 112.617 -177.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.153 0 C-N-CA 115.804 -2.358 . . . . 0.0 112.009 179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.43 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.126 -1.609 . . . . 0.0 116.089 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.591 2.432 . . . . 0.0 105.992 176.176 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.586 3.053 . . . . 0.0 109.05 179.663 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.296 -1.762 . . . . 0.0 108.242 178.134 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.09 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.355 -2.26 . . . . 0.0 108.452 -179.174 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.23 44.47 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.186 4.054 . . . . 0.0 103.618 173.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.59 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.678 3.111 . . . . 0.0 111.223 -177.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.89 144.51 37.54 Favored Pre-proline 0 C--N 1.314 -0.973 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.331 174.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.49 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 122.56 2.174 . . . . 0.0 111.916 177.721 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.925 -177.543 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.51 47.47 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.873 -179.014 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.41 21.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.727 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.27 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.129 2.768 . . . . 0.0 110.41 175.751 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.5 79.08 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.865 . . . . 0.0 110.751 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.44 -44.44 87.31 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.314 1.046 . . . . 0.0 111.5 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.43 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.039 1.462 . . . . 0.0 109.319 178.503 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.97 83.74 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.751 -179.712 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.98 86.98 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 117.969 0.349 . . . . 0.0 111.237 176.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.28 86.95 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 120.341 -1.474 . . . . 0.0 110.804 176.029 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 125.498 2.57 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.74 66.59 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.709 179.142 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.692 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 -175.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.133 2.697 . . . . 0.0 113.954 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.4 90.1 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.521 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.86 83.22 Favored Pre-proline 0 C--O 1.243 0.728 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.003 179.714 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.87 79.12 Favored 'Trans proline' 0 C--O 1.259 1.557 0 C-N-CA 123.126 2.55 . . . . 0.0 110.933 178.214 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.63 Favored 'Trans proline' 0 C--O 1.261 1.668 0 C-N-CA 120.693 0.929 . . . . 0.0 113.433 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.62 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.957 -1.714 . . . . 0.0 112.217 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.47 28.87 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.527 -1.358 . . . . 0.0 112.005 178.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.311 2.005 . . . . 0.0 115.633 -177.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.95 23.96 Favored 'General case' 0 C--O 1.296 3.528 0 N-CA-C 104.872 -2.269 . . . . 0.0 104.872 172.133 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.456 1.025 . . . . 0.0 110.036 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.132 1.52 . . . . 0.0 111.867 -177.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.7 18.9 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.276 -2.238 . . . . 0.0 110.773 177.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.11 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 128.329 2.871 . . . . 0.0 117.486 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.69 46.3 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.26 34.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 174.521 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.36 37.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.015 -175.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.7 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.01 1.444 . . . . 0.0 109.986 -177.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.17 29.98 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.711 3.596 . . . . 0.0 120.711 -175.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.8 85.3 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.068 1.187 . . . . 0.0 116.068 -177.339 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.55 17.01 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.025 -1.868 . . . . 0.0 107.998 176.49 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.63 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.16 79.17 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.155 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.182 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.55 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.432 1.11 . . . . 0.0 110.698 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.994 179.294 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.33 18.41 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.568 1.986 . . . . 0.0 111.237 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.158 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 126.126 2.141 . . . . 0.0 109.512 -176.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 39.7 ttmt -54.81 143.09 26.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.204 1.478 . . . . 0.0 109.245 -176.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.22 10.68 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.003 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.462 2.976 . . . . 0.0 105.875 177.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.533 176.581 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.94 28.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 175.146 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.152 0.501 . . . . 0.0 109.851 178.421 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.641 ' H71' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.01 41.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 141.01 160.56 0.0 OUTLIER 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.339 -3.22 . . . . 0.0 105.523 -178.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -167.56 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 O-C-N 125.85 1.969 . . . . 0.0 109.829 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -139.77 121.72 15.6 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.86 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.43 -171.67 45.33 Favored Glycine 0 C--O 1.243 0.682 0 CA-C-N 114.656 -1.156 . . . . 0.0 115.08 -179.439 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.381 -2.344 . . . . 0.0 108.409 179.15 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.957 2.66 . . . . 0.0 108.95 178.282 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.376 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.17 49.51 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.5 4.875 . . . . 0.0 108.781 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.438 -3.172 . . . . 0.0 105.529 175.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.21 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 129.382 4.176 . . . . 0.0 108.011 -178.131 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -7.01 49.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.036 0.835 . . . . 0.0 112.607 -177.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.846 -2.342 . . . . 0.0 111.987 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.52 80.26 Favored Glycine 0 C--N 1.297 -1.586 0 O-C-N 120.127 -1.608 . . . . 0.0 116.166 179.764 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.1 34.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 175.001 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.634 2.459 . . . . 0.0 106.05 176.136 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.01 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 127.637 3.086 . . . . 0.0 109.027 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.227 178.135 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.97 44.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.447 -179.169 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.192 4.058 . . . . 0.0 103.616 173.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.62 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.669 3.106 . . . . 0.0 111.231 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.47 37.58 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.131 -2.304 . . . . 0.0 106.295 174.714 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.85 -24.47 38.75 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.549 2.166 . . . . 0.0 111.93 177.72 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.897 -179.04 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.4 21.25 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.3 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.164 2.79 . . . . 0.0 110.357 175.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.39 78.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.342 -0.849 . . . . 0.0 110.739 177.014 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.326 1.05 . . . . 0.0 111.493 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.49 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.068 1.48 . . . . 0.0 109.347 178.514 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.74 -38.01 83.71 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.99 86.97 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.005 0.366 . . . . 0.0 111.183 176.9 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.29 86.97 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.409 -1.432 . . . . 0.0 110.833 176.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.46 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.56 79.48 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.573 2.606 . . . . 0.0 109.056 179.417 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.75 66.47 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.74 179.127 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.45 17.96 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 -175.676 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.27 8.1 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.105 2.684 . . . . 0.0 113.975 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.306 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.543 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.9 79.4 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.159 2.573 . . . . 0.0 110.903 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.14 92.63 Favored 'Trans proline' 0 C--O 1.262 1.683 0 C-N-CA 120.692 0.928 . . . . 0.0 113.44 -179.388 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 119.986 -1.696 . . . . 0.0 112.201 -177.472 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.79 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.522 -1.361 . . . . 0.0 112.06 178.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.319 2.009 . . . . 0.0 115.584 -177.62 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.91 23.86 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.11 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.95 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 119.465 1.029 . . . . 0.0 109.961 -177.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 O-C-N 125.144 1.527 . . . . 0.0 111.894 -177.468 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.67 18.98 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.477 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.782 177.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.341 2.877 . . . . 0.0 117.474 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.535 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.017 -175.88 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 125.059 1.475 . . . . 0.0 109.955 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.18 30.43 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.97 85.17 Favored Glycine 0 CA--C 1.492 -1.387 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.59 17.07 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 119.999 -1.883 . . . . 0.0 108.005 176.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.64 11.61 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.112 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.21 79.37 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.132 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.152 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.24 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.505 1.145 . . . . 0.0 110.739 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.69 51.43 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.979 179.259 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.6 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.534 1.97 . . . . 0.0 111.189 179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.153 -2.356 . . . . 0.0 106.211 175.777 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.047 2.092 . . . . 0.0 109.545 -176.851 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.438 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.73 143.0 26.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.175 1.464 . . . . 0.0 109.281 -176.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.62 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.489 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.04 159.54 34.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 174.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.73 52.22 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.63 19.12 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.714 174.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.72 46.5 Favored 'General case' 0 C--N 1.286 -2.157 0 O-C-N 127.406 2.941 . . . . 0.0 105.891 177.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.827 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.509 176.584 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 175.142 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.134 0.493 . . . . 0.0 109.838 178.455 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.454 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.91 34.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' C ' ' N ' ' A' ' 74' ' ' ARG . . . -131.02 155.72 46.37 Favored 'General case' 0 C--O 1.272 2.243 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.468 -176.338 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -160.82 141.5 11.51 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 125.823 1.952 . . . . 0.0 109.831 179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' C ' ' A' ' 72' ' ' ARG . . . -93.82 144.34 25.52 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.865 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 1.2 88.64 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 114.658 -1.156 . . . . 0.0 115.095 -179.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.358 179.27 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 126.985 2.678 . . . . 0.0 108.92 178.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.38 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.446 4.841 . . . . 0.0 108.794 179.585 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.15 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.537 175.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.48 41.19 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.052 -178.178 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.75 8.39 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.68 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.068 0.855 . . . . 0.0 112.568 -177.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.975 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.46 80.33 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.122 -1.611 . . . . 0.0 116.136 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 174.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.586 2.429 . . . . 0.0 105.998 176.167 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 127.555 3.034 . . . . 0.0 109.048 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.77 36.6 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.209 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.381 -2.247 . . . . 0.0 108.413 -179.166 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.026 1 O-C-N 129.251 4.094 . . . . 0.0 103.577 173.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 O-C-N 127.706 3.129 . . . . 0.0 111.261 -177.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.52 37.74 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 112.194 -2.276 . . . . 0.0 106.327 174.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.46 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 122.522 2.148 . . . . 0.0 111.954 177.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.17 59.13 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.53 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.861 -179.048 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.4 21.19 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 175.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.24 77.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.168 2.792 . . . . 0.0 110.362 175.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.47 79.22 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.406 -0.809 . . . . 0.0 110.731 176.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.06 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 124.342 1.057 . . . . 0.0 111.507 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.28 -46.5 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.016 1.448 . . . . 0.0 109.282 178.513 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.73 -38.0 83.64 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.2 Favored 'General case' 0 C--O 1.279 2.623 0 CA-C-N 117.965 0.348 . . . . 0.0 111.215 176.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.38 87.25 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.435 -1.415 . . . . 0.0 110.861 175.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.879 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.34 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.511 2.577 . . . . 0.0 109.011 179.46 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.7 66.53 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.705 -1.588 . . . . 0.0 111.735 179.104 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 123.138 2.699 . . . . 0.0 113.957 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.37 90.11 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.873 2.309 . . . . 0.0 118.873 176.567 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.741 0 C-N-CA 118.835 -1.146 . . . . 0.0 111.005 179.678 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.92 79.48 Favored 'Trans proline' 0 C--O 1.259 1.558 0 C-N-CA 123.155 2.57 . . . . 0.0 110.935 178.183 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.262 1.708 0 C-N-CA 120.699 0.933 . . . . 0.0 113.422 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.59 63.64 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 119.931 -1.731 . . . . 0.0 112.22 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.45 28.93 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 120.505 -1.372 . . . . 0.0 112.084 178.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.313 2.006 . . . . 0.0 115.636 -177.656 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.92 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 172.109 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.465 1.03 . . . . 0.0 109.986 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 O-C-N 125.105 1.503 . . . . 0.0 111.892 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.68 18.87 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.03 19.25 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.239 -2.255 . . . . 0.0 110.779 177.346 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 61.0 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.318 2.866 . . . . 0.0 117.529 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.725 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 174.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.028 -175.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.91 139.99 36.81 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 125.111 1.507 . . . . 0.0 109.977 -177.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.12 Favored 'General case' 0 C--O 1.266 1.926 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.95 85.16 Favored Glycine 0 CA--C 1.492 -1.381 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -177.341 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 119.997 -1.884 . . . . 0.0 108.015 176.538 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.089 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.34 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.22 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.56 70.73 Favored 'General case' 0 C--O 1.269 2.103 0 C-N-CA 117.295 -1.762 . . . . 0.0 112.134 -179.473 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.33 70.6 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.453 1.121 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.708 -1.139 . . . . 0.0 112.993 179.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.36 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.548 1.976 . . . . 0.0 111.229 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.39 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.026 0 CA-C-O 115.112 -2.375 . . . . 0.0 106.176 175.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.099 2.124 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 64.1 pttt -54.74 143.02 26.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.224 1.488 . . . . 0.0 109.255 -176.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.07 10.59 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 179.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.12 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 175.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.723 175.012 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.79 46.38 Favored 'General case' 0 C--N 1.285 -2.199 0 O-C-N 127.446 2.966 . . . . 0.0 105.904 177.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.11 115.83 30.86 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.545 176.612 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.97 28.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.176 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.402 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.423 ' S1 ' ' H62' ' A' ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.499 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 141.81 29.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 86.55 141.36 0.05 Allowed 'General case' 0 C--O 1.272 2.264 0 CA-C-O 113.423 -3.179 . . . . 0.0 105.479 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -161.29 -10.2 0.04 OUTLIER 'General case' 0 C--N 1.293 -1.887 0 O-C-N 125.79 1.931 . . . . 0.0 109.819 -179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -149.97 159.94 44.0 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.854 -179.119 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.43 -155.14 31.47 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 114.648 -1.16 . . . . 0.0 115.068 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.364 -2.353 . . . . 0.0 108.34 179.236 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.968 2.667 . . . . 0.0 108.917 178.343 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.408 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.483 4.864 . . . . 0.0 108.802 179.545 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.521 175.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.47 41.19 Favored 'General case' 0 N--CA 1.504 2.233 1 O-C-N 129.368 4.168 . . . . 0.0 108.089 -178.178 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.354 179.915 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.66 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.019 0.825 . . . . 0.0 112.595 -177.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.27 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 115.815 -2.354 . . . . 0.0 112.03 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.36 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.069 -1.644 . . . . 0.0 116.114 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.43 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.73 55.34 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.583 2.427 . . . . 0.0 106.037 176.135 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 127.572 3.045 . . . . 0.0 109.052 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.77 36.67 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.228 -1.789 . . . . 0.0 108.253 178.09 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.01 44.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.335 -2.269 . . . . 0.0 108.428 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.56 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.221 4.076 . . . . 0.0 103.554 173.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 O-C-N 127.669 3.106 . . . . 0.0 111.188 -177.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.321 174.699 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.4 39.12 Favored 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 122.58 2.187 . . . . 0.0 111.956 177.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.15 59.15 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.52 47.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.843 -179.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.43 21.23 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.23 2.831 . . . . 0.0 110.339 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.46 79.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.383 -0.823 . . . . 0.0 110.754 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.04 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.262 1.025 . . . . 0.0 111.533 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.46 89.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 125.065 1.478 . . . . 0.0 109.288 178.504 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.78 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.99 0.359 . . . . 0.0 111.226 176.879 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 120.377 -1.452 . . . . 0.0 110.774 176.019 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.42 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 125.508 2.575 . . . . 0.0 109.008 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.53 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.43 17.93 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.629 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 123.112 2.687 . . . . 0.0 113.957 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.32 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.9 83.45 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.019 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.93 79.65 Favored 'Trans proline' 0 C--O 1.26 1.594 0 C-N-CA 123.139 2.559 . . . . 0.0 110.933 178.227 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.65 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.863 0.928 . . . . 0.0 113.427 -179.358 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 119.925 -1.735 . . . . 0.0 112.251 -177.46 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.79 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.474 -1.392 . . . . 0.0 112.027 178.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.7 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.323 2.011 . . . . 0.0 115.648 -177.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.95 23.93 Favored 'General case' 0 C--O 1.296 3.505 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.439 1.018 . . . . 0.0 109.952 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 125.183 1.552 . . . . 0.0 111.856 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.513 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.807 177.372 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.51 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.364 2.888 . . . . 0.0 117.496 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.736 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 103.792 -2.67 . . . . 0.0 103.792 174.538 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.35 37.46 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.02 -175.863 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.01 36.68 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.13 1.519 . . . . 0.0 109.973 -177.722 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.833 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.492 -1.393 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 -177.343 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.55 17.05 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 119.941 -1.917 . . . . 0.0 107.975 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.56 11.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.13 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.23 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.171 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.298 -1.761 . . . . 0.0 112.188 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.28 70.59 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.492 1.139 . . . . 0.0 110.718 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.955 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.41 18.54 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 121.58 1.991 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.72 116.45 30.4 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.103 -2.379 . . . . 0.0 106.164 175.858 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.129 2.143 . . . . 0.0 109.531 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -54.74 143.0 26.67 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.233 1.492 . . . . 0.0 109.282 -176.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.777 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.15 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.278 -0.867 . . . . 0.0 108.665 175.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.23 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 114.686 -2.578 . . . . 0.0 105.702 175.02 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.73 46.52 Favored 'General case' 0 C--N 1.285 -2.216 0 O-C-N 127.455 2.972 . . . . 0.0 105.856 177.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.88 30.95 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.678 -1.154 . . . . 0.0 111.519 176.576 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.88 28.79 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.122 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.198 0.523 . . . . 0.0 109.821 178.435 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.499 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.453 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.61 34.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' ' 74' ' ' ARG . . . -140.79 112.68 7.67 Favored 'General case' 0 C--O 1.272 2.285 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -76.36 122.96 25.22 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 125.767 1.917 . . . . 0.0 109.809 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 72' ' ' ARG . . . -65.8 -40.2 91.66 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.778 -1.556 . . . . 0.0 108.871 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -66.05 156.75 49.61 Favored Glycine 0 C--O 1.243 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 115.061 -179.316 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.371 -2.35 . . . . 0.0 108.384 179.411 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.978 2.673 . . . . 0.0 108.93 178.319 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.397 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.472 4.857 . . . . 0.0 108.79 179.555 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.24 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 113.37 -3.205 . . . . 0.0 105.522 175.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.19 127.53 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.431 4.207 . . . . 0.0 108.028 -178.162 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.92 49.49 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.02 0.825 . . . . 0.0 112.61 -177.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.9 30.51 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.792 -2.363 . . . . 0.0 111.996 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.126 -1.609 . . . . 0.0 116.146 179.725 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.03 34.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 175.047 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.78 55.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.576 2.422 . . . . 0.0 106.005 176.182 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.95 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 127.559 3.037 . . . . 0.0 109.063 179.626 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.85 36.54 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 117.285 -1.766 . . . . 0.0 108.216 178.116 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.08 44.23 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.446 -179.192 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.91 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.993 1 O-C-N 129.185 4.053 . . . . 0.0 103.575 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.655 3.097 . . . . 0.0 111.235 -177.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.47 37.54 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.359 174.721 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.49 39.17 Favored 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 122.564 2.176 . . . . 0.0 111.933 177.715 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.11 59.11 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.907 -177.505 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.1 148.52 47.39 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.376 -1.73 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.726 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.179 2.799 . . . . 0.0 110.373 175.765 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.47 79.0 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.4 -0.812 . . . . 0.0 110.707 176.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.44 87.01 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 124.323 1.049 . . . . 0.0 111.511 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.056 1.473 . . . . 0.0 109.305 178.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.99 84.01 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.28 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 118.027 0.376 . . . . 0.0 111.217 176.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.1 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.396 -1.44 . . . . 0.0 110.852 175.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.48 77.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.539 2.59 . . . . 0.0 108.991 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.767 179.118 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.629 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.41 8.09 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.121 2.692 . . . . 0.0 113.975 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.41 90.08 Favored Glycine 0 CA--C 1.478 -2.247 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.026 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.176 2.584 . . . . 0.0 110.904 178.198 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.77 Favored 'Trans proline' 0 C--O 1.262 1.686 0 C-N-CA 120.683 0.922 . . . . 0.0 113.399 -179.365 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 119.99 -1.694 . . . . 0.0 112.211 -177.436 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.92 -10.41 28.84 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.559 -1.338 . . . . 0.0 112.001 178.695 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 124.289 1.995 . . . . 0.0 115.675 -177.678 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.94 23.95 Favored 'General case' 0 C--O 1.297 3.573 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 172.137 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.94 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.479 1.036 . . . . 0.0 109.994 -177.524 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.184 1.552 . . . . 0.0 111.892 -177.471 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 177.536 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.0 19.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.771 177.367 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.64 61.0 Favored Glycine 0 N--CA 1.433 -1.563 0 C-N-CA 128.333 2.873 . . . . 0.0 117.509 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.6 46.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.699 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.37 37.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 117.749 -1.12 . . . . 0.0 110.021 -175.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.01 36.71 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 125.047 1.467 . . . . 0.0 109.982 -177.79 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.55 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.82 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.27 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 116.079 1.192 . . . . 0.0 116.079 -177.315 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.03 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 119.984 -1.892 . . . . 0.0 107.997 176.514 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.57 11.65 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.1 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.26 79.29 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.156 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.048 0 C-N-CA 117.306 -1.758 . . . . 0.0 112.147 -179.517 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.454 1.121 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.61 51.63 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.014 179.268 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.518 1.963 . . . . 0.0 111.178 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.41 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.164 175.822 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.079 2.112 . . . . 0.0 109.528 -176.868 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.44 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 17.1 pttp -54.75 143.07 26.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.211 1.481 . . . . 0.0 109.255 -176.891 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.49 34.59 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.797 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.58 19.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.714 175.045 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.36 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.412 2.945 . . . . 0.0 105.853 177.956 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.783 0 CA-C-O 117.657 -1.163 . . . . 0.0 111.506 176.574 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 175.115 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.216 0.532 . . . . 0.0 109.783 178.472 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.16 38.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -157.65 132.16 8.43 Favored 'General case' 0 C--O 1.272 2.288 0 CA-C-O 113.375 -3.203 . . . . 0.0 105.526 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -72.69 160.16 32.67 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 125.79 1.931 . . . . 0.0 109.835 -179.563 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -142.39 -1.81 1.15 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.87 -179.464 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -61.09 -40.81 99.04 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 114.698 -1.137 . . . . 0.0 115.093 -179.503 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.408 -2.329 . . . . 0.0 108.356 179.195 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 126.954 2.659 . . . . 0.0 108.931 178.312 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.382 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.432 4.833 . . . . 0.0 108.777 179.566 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.18 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 113.349 -3.215 . . . . 0.0 105.485 175.806 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.48 41.18 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.476 4.235 . . . . 0.0 108.076 -178.195 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.94 49.53 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.978 0.799 . . . . 0.0 112.611 -177.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.06 30.04 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.829 -2.348 . . . . 0.0 111.974 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.149 -1.594 . . . . 0.0 116.137 179.745 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.03 34.45 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.56 2.413 . . . . 0.0 106.009 176.143 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.04 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 127.571 3.045 . . . . 0.0 109.05 179.677 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.213 178.139 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.425 -179.219 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.23 44.52 Favored 'General case' 0 N--CA 1.5 2.029 1 O-C-N 129.256 4.097 . . . . 0.0 103.558 174.003 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.681 3.113 . . . . 0.0 111.219 -177.879 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.15 -2.295 . . . . 0.0 106.323 174.732 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.48 39.36 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 122.518 2.145 . . . . 0.0 112.007 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.872 -177.519 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.54 47.38 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.85 -179.058 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.24 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 O-C-N 127.157 2.786 . . . . 0.0 110.365 175.799 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.45 79.21 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.41 -0.807 . . . . 0.0 110.712 177.013 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.07 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.351 1.06 . . . . 0.0 111.484 -179.641 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.46 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.073 1.483 . . . . 0.0 109.276 178.561 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -37.99 83.68 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.601 0 CA-C-N 118.011 0.369 . . . . 0.0 111.243 176.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.32 87.06 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.429 -1.419 . . . . 0.0 110.794 176.019 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.5 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.57 79.43 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.465 2.555 . . . . 0.0 109.012 179.458 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.75 66.65 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.765 179.109 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.41 17.99 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.629 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.121 2.691 . . . . 0.0 113.917 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.41 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.869 2.308 . . . . 0.0 118.869 176.546 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.005 179.718 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.185 2.59 . . . . 0.0 110.895 178.221 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.716 0 C-N-CA 120.673 0.915 . . . . 0.0 113.421 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.96 -1.713 . . . . 0.0 112.217 -177.461 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.49 -1.381 . . . . 0.0 112.045 178.671 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.68 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.349 2.023 . . . . 0.0 115.633 -177.71 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.89 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.087 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.459 1.027 . . . . 0.0 109.973 -177.543 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.139 1.525 . . . . 0.0 111.867 -177.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.95 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.516 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.194 -2.275 . . . . 0.0 110.777 177.394 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.38 2.895 . . . . 0.0 117.504 -179.471 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.63 46.37 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.694 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 174.601 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.015 -175.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.04 36.68 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.019 1.449 . . . . 0.0 109.968 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.98 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 120.735 3.605 . . . . 0.0 120.735 -175.834 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 116.147 1.219 . . . . 0.0 116.147 -177.414 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.6 16.99 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 120.023 -1.869 . . . . 0.0 107.991 176.497 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.1 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.28 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.196 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.181 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.31 70.43 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.435 1.112 . . . . 0.0 110.733 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.67 51.48 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 117.676 -1.155 . . . . 0.0 113.006 179.299 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.37 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 121.544 1.974 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.18 -2.343 . . . . 0.0 106.185 175.788 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.56 8.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.043 2.09 . . . . 0.0 109.5 -176.834 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.432 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 14.2 mttp -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.195 1.474 . . . . 0.0 109.306 -176.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.14 10.59 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.814 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.972 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.74 174.985 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.285 -2.233 0 O-C-N 127.391 2.932 . . . . 0.0 105.882 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.86 30.92 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.532 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.97 28.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 175.165 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.204 0.526 . . . . 0.0 109.845 178.433 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.605 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.12 36.93 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -130.0 162.93 27.58 Favored 'General case' 0 C--O 1.272 2.249 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.472 178.523 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 59.38 148.82 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.876 0 O-C-N 125.779 1.924 . . . . 0.0 109.869 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -153.05 -16.24 0.15 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.826 -179.438 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.41 171.79 42.73 Favored Glycine 0 C--O 1.243 0.689 0 CA-C-N 114.697 -1.138 . . . . 0.0 115.051 -179.261 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 CA-C-O 116.391 -2.339 . . . . 0.0 108.345 179.383 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 126.991 2.682 . . . . 0.0 108.938 178.355 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.433 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.15 49.54 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.477 4.861 . . . . 0.0 108.784 179.555 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.427 -3.178 . . . . 0.0 105.519 175.825 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.24 Favored 'General case' 0 N--CA 1.505 2.32 1 O-C-N 129.406 4.191 . . . . 0.0 108.043 -178.145 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.91 49.35 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.062 0.851 . . . . 0.0 112.582 -177.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.828 -2.349 . . . . 0.0 112.023 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.45 80.4 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.106 -1.621 . . . . 0.0 116.114 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.75 55.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 126.594 2.434 . . . . 0.0 106.037 176.156 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.43 141.99 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.558 3.036 . . . . 0.0 109.019 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.58 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.211 -1.796 . . . . 0.0 108.215 178.134 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 153.98 44.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.448 -179.214 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.166 4.041 . . . . 0.0 103.577 174.032 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.698 3.124 . . . . 0.0 111.205 -177.869 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.316 174.656 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.45 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.534 2.156 . . . . 0.0 111.94 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.862 -177.515 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.49 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.876 -179.016 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.39 21.29 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.696 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 127.178 2.799 . . . . 0.0 110.404 175.752 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.43 79.02 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.318 -0.864 . . . . 0.0 110.729 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.91 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.93 83.66 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.76 -179.741 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.34 Favored 'General case' 0 C--O 1.279 2.625 0 CA-C-N 117.977 0.353 . . . . 0.0 111.206 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.26 86.88 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.342 -1.474 . . . . 0.0 110.812 176.024 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.51 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.897 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.13 -48.64 79.2 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.508 2.575 . . . . 0.0 109.002 179.414 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.308 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.76 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.41 17.93 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -175.655 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.36 8.12 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.152 2.706 . . . . 0.0 113.987 179.821 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.43 90.11 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.511 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.009 179.676 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.06 137.0 79.97 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.171 2.581 . . . . 0.0 110.909 178.193 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.73 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.718 0.945 . . . . 0.0 113.393 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.807 0 O-C-N 119.938 -1.726 . . . . 0.0 112.189 -177.432 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.529 -1.357 . . . . 0.0 112.049 178.664 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 124.306 2.003 . . . . 0.0 115.621 -177.644 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.84 -2.282 . . . . 0.0 104.84 172.133 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.08 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 119.466 1.03 . . . . 0.0 109.974 -177.576 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.131 1.519 . . . . 0.0 111.897 -177.545 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.69 18.97 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.516 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.97 19.44 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.768 177.4 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.58 61.19 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 128.291 2.853 . . . . 0.0 117.457 -179.531 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 177.673 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.569 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.44 37.49 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.004 -175.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 139.94 36.83 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.708 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.2 29.52 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 -175.834 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.87 85.26 Favored Glycine 0 CA--C 1.492 -1.356 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 -177.279 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 120.028 -1.866 . . . . 0.0 107.99 176.509 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.154 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.197 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.92 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.151 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.29 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.454 1.121 . . . . 0.0 110.764 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.44 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.991 179.259 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.41 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 121.526 1.966 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.035 0 CA-C-O 115.074 -2.394 . . . . 0.0 106.18 175.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.5 8.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.12 2.138 . . . . 0.0 109.516 -176.864 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 143.05 26.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.215 1.483 . . . . 0.0 109.292 -176.924 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.494 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.52 34.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.75 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.74 52.26 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.926 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.713 -2.565 . . . . 0.0 105.712 175.046 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.411 2.944 . . . . 0.0 105.907 177.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.523 176.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.149 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.165 0.507 . . . . 0.0 109.87 178.424 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.605 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.92 34.43 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . -146.56 113.49 6.12 Favored 'General case' 0 C--O 1.273 2.305 0 CA-C-O 113.369 -3.205 . . . . 0.0 105.548 -179.765 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -102.84 131.53 49.67 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.798 1.936 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -62.58 150.96 39.14 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.866 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.99 -170.32 42.88 Favored Glycine 0 C--O 1.244 0.746 0 CA-C-N 114.643 -1.162 . . . . 0.0 115.1 -179.458 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 116.398 -2.334 . . . . 0.0 108.362 179.158 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.908 2.63 . . . . 0.0 108.912 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 173.375 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.19 49.49 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.449 4.843 . . . . 0.0 108.733 179.614 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 113.368 -3.206 . . . . 0.0 105.468 175.837 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.21 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.458 4.224 . . . . 0.0 108.081 -178.192 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.38 -6.98 49.69 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.077 0.86 . . . . 0.0 112.598 -177.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 115.838 -2.345 . . . . 0.0 112.004 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.117 -1.614 . . . . 0.0 116.138 179.759 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 174.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.659 2.474 . . . . 0.0 106.063 176.177 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.624 3.077 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.83 36.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.228 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.458 -179.191 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.18 44.33 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.229 4.08 . . . . 0.0 103.559 173.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.63 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.678 3.111 . . . . 0.0 111.184 -177.87 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.54 37.73 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.363 174.655 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.39 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.503 2.135 . . . . 0.0 111.984 177.752 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.14 59.15 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.897 -177.509 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.45 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 117.348 -1.741 . . . . 0.0 109.826 -179.007 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.4 21.25 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.716 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 127.201 2.813 . . . . 0.0 110.386 175.795 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.43 79.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.352 -0.842 . . . . 0.0 110.737 176.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.47 86.99 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 124.374 1.069 . . . . 0.0 111.507 -179.626 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.38 -46.45 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.062 1.476 . . . . 0.0 109.277 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -38.03 83.81 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.21 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-N 118.002 0.364 . . . . 0.0 111.186 176.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.438 -1.414 . . . . 0.0 110.833 176.021 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.4 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.58 79.27 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.514 2.578 . . . . 0.0 109.043 179.468 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.74 66.58 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.707 179.132 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.36 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -175.639 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.33 8.09 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.094 2.679 . . . . 0.0 113.95 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.11 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.494 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.86 83.25 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.995 179.747 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.139 2.559 . . . . 0.0 110.922 178.21 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.71 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 122.879 0.936 . . . . 0.0 113.376 -179.32 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.62 63.65 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.98 -1.7 . . . . 0.0 112.205 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.46 29.0 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.507 -1.371 . . . . 0.0 112.05 178.711 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 124.311 2.005 . . . . 0.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.126 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.427 1.012 . . . . 0.0 110.0 -177.57 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.128 1.517 . . . . 0.0 111.926 -177.531 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.69 18.9 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.505 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.97 19.54 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.814 177.39 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.51 61.09 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.378 2.894 . . . . 0.0 117.523 -179.444 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.7 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 174.56 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.36 37.49 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.734 -1.126 . . . . 0.0 110.031 -175.895 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.0 36.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.047 1.467 . . . . 0.0 109.977 -177.747 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.25 29.29 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.737 3.606 . . . . 0.0 120.737 -175.788 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.491 -1.42 0 N-CA-C 116.085 1.194 . . . . 0.0 116.085 -177.362 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.53 17.09 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.003 -1.881 . . . . 0.0 107.969 176.528 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.54 11.68 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.121 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.136 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.16 -179.481 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.33 70.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.457 1.123 . . . . 0.0 110.717 179.791 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.42 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.967 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.98 45.28 18.34 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 121.596 1.998 . . . . 0.0 111.159 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.37 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.126 -2.369 . . . . 0.0 106.105 175.867 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 126.087 2.117 . . . . 0.0 109.489 -176.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -54.75 143.04 26.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.231 1.491 . . . . 0.0 109.281 -176.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.63 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.787 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.76 52.31 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 114.668 -2.587 . . . . 0.0 105.717 175.01 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.44 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.448 2.968 . . . . 0.0 105.854 177.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.475 176.598 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.9 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.068 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.158 0.504 . . . . 0.0 109.848 178.473 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.28 33.91 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -121.82 170.09 10.11 Favored 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.503 -179.391 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -151.25 128.76 11.41 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.768 1.918 . . . . 0.0 109.859 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -89.72 120.76 31.26 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.827 -179.289 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -87.84 -177.27 47.95 Favored Glycine 0 C--O 1.243 0.717 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.082 -179.346 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.407 -2.33 . . . . 0.0 108.364 179.172 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.987 2.679 . . . . 0.0 108.952 178.305 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.691 173.394 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.471 4.857 . . . . 0.0 108.82 179.556 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 113.382 -3.199 . . . . 0.0 105.516 175.807 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.408 4.192 . . . . 0.0 108.08 -178.176 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.34 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.084 0.865 . . . . 0.0 112.576 -177.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 14.99 30.25 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.762 -2.375 . . . . 0.0 111.994 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.47 80.35 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.147 -1.595 . . . . 0.0 116.131 179.763 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.03 34.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 174.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.72 55.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.644 2.465 . . . . 0.0 106.03 176.155 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.623 3.077 . . . . 0.0 109.0 179.668 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.225 178.12 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.99 44.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.318 -2.277 . . . . 0.0 108.451 -179.186 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.18 44.37 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.265 4.103 . . . . 0.0 103.531 174.004 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.62 15.88 Favored 'Isoleucine or valine' 0 C--O 1.252 1.188 0 O-C-N 127.731 3.144 . . . . 0.0 111.218 -177.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.183 -2.281 . . . . 0.0 106.269 174.699 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.47 39.03 Favored 'Trans proline' 0 C--N 1.319 -0.982 0 C-N-CA 122.554 2.169 . . . . 0.0 111.961 177.687 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.15 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.918 -177.525 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.885 -179.056 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.42 21.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.702 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.21 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.213 2.821 . . . . 0.0 110.353 175.806 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.66 -40.39 79.24 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.342 -0.848 . . . . 0.0 110.753 176.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.58 -44.45 86.63 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 124.367 1.067 . . . . 0.0 111.565 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.44 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.061 1.475 . . . . 0.0 109.275 178.524 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.99 83.88 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.809 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.95 86.99 Favored 'General case' 0 C--O 1.279 2.63 0 CA-C-N 117.967 0.348 . . . . 0.0 111.214 176.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.396 -1.44 . . . . 0.0 110.789 176.027 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.6 79.26 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.534 2.588 . . . . 0.0 109.016 179.463 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.62 66.64 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.743 179.132 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.66 -24.39 17.9 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -175.634 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.32 8.09 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 123.178 2.717 . . . . 0.0 113.97 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.34 90.15 Favored Glycine 0 CA--C 1.477 -2.314 0 N-CA-C 118.871 2.309 . . . . 0.0 118.871 176.539 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.95 79.64 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.169 2.579 . . . . 0.0 110.906 178.251 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.262 1.685 0 O-C-N 122.857 0.925 . . . . 0.0 113.43 -179.331 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.59 63.64 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.956 -1.715 . . . . 0.0 112.249 -177.482 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.77 -10.55 28.83 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 120.459 -1.401 . . . . 0.0 112.023 178.692 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.76 34.78 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.338 2.018 . . . . 0.0 115.664 -177.66 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.94 23.91 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.142 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.489 1.04 . . . . 0.0 110.001 -177.595 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.83 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 O-C-N 125.159 1.537 . . . . 0.0 111.951 -177.522 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.542 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.97 19.39 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.775 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.58 61.21 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.398 2.904 . . . . 0.0 117.5 -179.497 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.66 46.35 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.703 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 174.601 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.011 -175.9 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.052 1.47 . . . . 0.0 109.967 -177.747 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.93 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.8 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.25 Favored Glycine 0 CA--C 1.491 -1.414 0 N-CA-C 116.095 1.198 . . . . 0.0 116.095 -177.323 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.57 17.0 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.969 -1.9 . . . . 0.0 107.969 176.554 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.129 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.178 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.58 70.73 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.289 -1.765 . . . . 0.0 112.18 -179.447 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.3 70.67 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.453 1.12 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.673 -1.156 . . . . 0.0 112.997 179.261 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.4 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.598 1.999 . . . . 0.0 111.166 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.39 30.29 Favored 'Isoleucine or valine' 0 C--O 1.269 2.082 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.165 175.818 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 126.127 2.142 . . . . 0.0 109.544 -176.917 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.242 1.496 . . . . 0.0 109.223 -176.853 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.13 10.61 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.889 2.552 . . . . 0.0 117.889 179.437 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 174.825 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.71 52.2 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.944 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.731 -2.557 . . . . 0.0 105.726 174.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.387 2.929 . . . . 0.0 105.89 177.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.795 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.526 176.588 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.17 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.162 0.506 . . . . 0.0 109.858 178.447 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.442 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 68.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' H ' ' H72' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.07 35.67 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -124.89 148.31 48.36 Favored 'General case' 0 C--O 1.271 2.23 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.539 -178.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -162.84 -144.42 0.09 Allowed 'General case' 0 C--N 1.293 -1.887 0 O-C-N 125.837 1.961 . . . . 0.0 109.844 179.959 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 70.19 174.16 0.3 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 113.746 -1.57 . . . . 0.0 108.846 -179.267 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.522 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -177.32 -175.03 44.24 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 114.643 -1.162 . . . . 0.0 115.113 -179.527 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 CA-C-O 116.356 -2.358 . . . . 0.0 108.361 179.313 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.685 . . . . 0.0 108.899 178.347 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 173.407 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.457 4.848 . . . . 0.0 108.77 179.585 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.515 175.81 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.47 41.23 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.411 4.195 . . . . 0.0 108.077 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.98 49.78 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.076 0.86 . . . . 0.0 112.584 -177.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.05 30.05 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 115.826 -2.349 . . . . 0.0 111.995 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.617 0 O-C-N 120.106 -1.621 . . . . 0.0 116.145 179.787 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 174.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.571 2.419 . . . . 0.0 106.05 176.144 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.579 3.05 . . . . 0.0 109.018 179.689 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.78 36.69 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.223 178.134 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.417 -179.204 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.179 4.049 . . . . 0.0 103.548 174.028 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.74 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.693 3.12 . . . . 0.0 111.2 -177.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.7 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.312 174.725 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.45 39.37 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.586 2.191 . . . . 0.0 111.904 177.713 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.15 59.16 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.897 -177.467 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.43 47.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.374 -1.73 . . . . 0.0 109.864 -179.05 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.729 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.245 2.841 . . . . 0.0 110.369 175.77 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.41 79.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.383 -0.823 . . . . 0.0 110.713 177.042 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.49 86.92 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.304 1.042 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.43 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.037 1.461 . . . . 0.0 109.345 178.484 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.802 -179.82 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.11 87.43 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.992 0.36 . . . . 0.0 111.184 176.926 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 120.384 -1.448 . . . . 0.0 110.826 175.982 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.45 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.62 79.19 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.524 2.583 . . . . 0.0 108.988 179.51 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.73 66.49 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.734 179.139 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.66 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.143 2.701 . . . . 0.0 114.003 179.782 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.883 2.313 . . . . 0.0 118.883 176.505 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.748 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.998 179.726 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.9 79.43 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.164 2.576 . . . . 0.0 110.929 178.178 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.14 92.73 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.858 0.925 . . . . 0.0 113.389 -179.373 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.264 1.822 0 O-C-N 119.955 -1.715 . . . . 0.0 112.164 -177.443 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.473 -1.392 . . . . 0.0 112.07 178.69 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.67 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.34 2.019 . . . . 0.0 115.615 -177.66 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.153 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.3 51.1 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.51 1.05 . . . . 0.0 109.987 -177.56 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.203 1.564 . . . . 0.0 111.877 -177.482 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.65 18.93 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.491 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.96 19.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.747 177.355 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.61 61.1 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.346 2.879 . . . . 0.0 117.449 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.691 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.538 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.32 37.43 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.021 -175.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 139.98 36.73 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.03 1.457 . . . . 0.0 109.933 -177.762 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.27 29.0 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.638 3.57 . . . . 0.0 120.638 -175.791 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.89 85.26 Favored Glycine 0 CA--C 1.491 -1.429 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -177.326 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 119.94 -1.917 . . . . 0.0 108.0 176.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.59 11.65 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.24 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.194 -179.464 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.58 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.487 1.137 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.61 51.56 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.986 179.272 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.43 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 121.571 1.987 . . . . 0.0 111.21 179.861 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.177 175.834 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 126.069 2.106 . . . . 0.0 109.522 -176.835 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 20.9 pttm -54.68 143.01 26.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.18 1.467 . . . . 0.0 109.242 -176.906 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.73 52.24 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.898 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.728 174.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.41 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.421 2.95 . . . . 0.0 105.894 177.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.524 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.9 28.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 175.114 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.197 0.522 . . . . 0.0 109.858 178.419 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.425 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.44 ' H72' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.592 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 80.0 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.73 36.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -150.32 -160.12 1.13 Allowed 'General case' 0 C--O 1.272 2.287 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.508 -175.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 55.92 75.77 0.32 Allowed 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.763 1.914 . . . . 0.0 109.833 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -59.96 -38.11 81.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.882 -179.879 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.36 -7.52 59.99 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-N 114.701 -1.136 . . . . 0.0 115.089 -179.555 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 116.351 -2.361 . . . . 0.0 108.343 179.242 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.21 31.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.928 2.642 . . . . 0.0 108.941 178.328 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.394 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.495 4.872 . . . . 0.0 108.769 179.574 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.433 -3.175 . . . . 0.0 105.489 175.79 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.48 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.381 4.176 . . . . 0.0 108.063 -178.169 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.18 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.017 0.823 . . . . 0.0 112.572 -177.953 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.778 -2.369 . . . . 0.0 112.015 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.34 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.072 -1.642 . . . . 0.0 116.088 179.742 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.587 2.429 . . . . 0.0 106.038 176.145 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.555 3.035 . . . . 0.0 109.039 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.237 178.144 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.22 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.375 -2.25 . . . . 0.0 108.461 -179.22 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.043 1 O-C-N 129.201 4.063 . . . . 0.0 103.527 174.009 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 O-C-N 127.687 3.117 . . . . 0.0 111.233 -177.957 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.362 174.658 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.26 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 122.578 2.185 . . . . 0.0 111.974 177.705 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.2 59.17 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.935 -177.52 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.841 -179.027 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.718 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 127.174 2.796 . . . . 0.0 110.393 175.776 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.401 -0.812 . . . . 0.0 110.745 176.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.01 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 124.343 1.057 . . . . 0.0 111.494 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.41 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.108 1.505 . . . . 0.0 109.318 178.525 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.77 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.759 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-N 118.022 0.373 . . . . 0.0 111.252 176.853 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.19 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.369 -1.457 . . . . 0.0 110.801 175.999 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.914 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.57 79.39 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.494 2.569 . . . . 0.0 109.015 179.445 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.68 66.59 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.671 -1.604 . . . . 0.0 111.721 179.149 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.48 17.95 Favored 'General case' 0 C--O 1.28 2.682 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.676 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 123.166 2.712 . . . . 0.0 113.956 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.37 90.1 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.906 2.322 . . . . 0.0 118.906 176.543 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.83 83.3 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.55 Favored 'Trans proline' 0 C--O 1.26 1.591 0 C-N-CA 123.167 2.578 . . . . 0.0 110.914 178.206 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.697 0.932 . . . . 0.0 113.46 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.967 -1.708 . . . . 0.0 112.201 -177.467 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.507 -1.371 . . . . 0.0 112.026 178.689 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.74 34.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 124.306 2.003 . . . . 0.0 115.663 -177.638 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.94 23.91 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 172.157 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.06 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.493 1.042 . . . . 0.0 109.992 -177.568 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.144 1.527 . . . . 0.0 111.924 -177.489 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.515 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.47 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.792 177.384 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.57 61.07 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 128.389 2.9 . . . . 0.0 117.499 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.724 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.509 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.007 -175.892 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.092 1.495 . . . . 0.0 109.963 -177.741 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.15 30.28 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.682 3.586 . . . . 0.0 120.682 -175.801 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.24 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.113 1.205 . . . . 0.0 116.113 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.52 17.05 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 120.029 -1.865 . . . . 0.0 107.987 176.512 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.112 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.18 79.12 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.163 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.6 70.75 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 117.314 -1.754 . . . . 0.0 112.124 -179.423 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.405 1.097 . . . . 0.0 110.699 179.768 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.42 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.983 179.286 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.3 18.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.569 1.986 . . . . 0.0 111.185 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.4 30.26 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.128 -2.367 . . . . 0.0 106.161 175.864 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.097 2.123 . . . . 0.0 109.555 -176.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.421 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 38.2 ttpt -54.73 142.99 26.64 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.207 1.479 . . . . 0.0 109.26 -176.932 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.09 10.58 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.927 2.566 . . . . 0.0 117.927 179.491 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.49 34.61 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.73 174.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.414 2.946 . . . . 0.0 105.862 177.919 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.489 176.56 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.084 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.235 0.54 . . . . 0.0 109.804 178.489 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.592 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.514 ' H62' ' S1 ' ' A' ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.99 37.11 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -156.01 -162.59 1.32 Allowed 'General case' 0 C--O 1.272 2.25 0 CA-C-O 113.394 -3.193 . . . . 0.0 105.492 179.028 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 55.67 157.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.905 0 O-C-N 125.798 1.936 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 63.72 74.3 0.42 Allowed 'General case' 0 C--O 1.246 0.884 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.838 -179.198 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.15 9.1 4.77 Favored Glycine 0 C--O 1.243 0.684 0 CA-C-N 114.668 -1.151 . . . . 0.0 115.077 -179.498 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.42 -2.322 . . . . 0.0 108.361 179.242 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 126.991 2.682 . . . . 0.0 108.896 178.333 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 162.98 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.385 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.22 49.44 Favored 'General case' 0 N--CA 1.512 2.641 1 O-C-N 130.468 4.855 . . . . 0.0 108.789 179.58 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.49 175.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.48 41.22 Favored 'General case' 0 N--CA 1.505 2.276 1 O-C-N 129.416 4.197 . . . . 0.0 108.048 -178.173 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.75 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.071 0.857 . . . . 0.0 112.582 -177.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.834 -2.346 . . . . 0.0 112.041 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.137 -1.602 . . . . 0.0 116.126 179.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.002 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.82 55.37 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 126.588 2.43 . . . . 0.0 106.02 176.165 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.557 3.036 . . . . 0.0 109.071 179.609 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.278 -1.769 . . . . 0.0 108.201 178.129 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.39 -179.181 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.47 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.197 4.061 . . . . 0.0 103.597 173.963 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.7 15.69 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.619 3.075 . . . . 0.0 111.229 -177.869 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.35 174.645 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.46 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.545 2.163 . . . . 0.0 111.973 177.674 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.899 -177.507 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.54 47.47 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.329 -1.748 . . . . 0.0 109.904 -179.072 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.708 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 O-C-N 127.169 2.793 . . . . 0.0 110.351 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.2 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.382 -0.824 . . . . 0.0 110.707 177.021 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.93 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.339 1.056 . . . . 0.0 111.5 -179.6 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.086 1.491 . . . . 0.0 109.302 178.529 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.98 83.85 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.11 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-N 117.977 0.353 . . . . 0.0 111.21 176.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.28 86.95 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.367 -1.458 . . . . 0.0 110.833 175.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.44 77.38 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.55 79.5 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.019 179.486 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.64 66.68 Favored 'General case' 0 C--O 1.254 1.328 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.728 179.137 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.65 -24.38 17.91 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -175.702 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.142 2.701 . . . . 0.0 113.964 179.789 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.916 2.326 . . . . 0.0 118.916 176.561 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.29 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.029 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.147 2.565 . . . . 0.0 110.91 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.08 92.55 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.877 0.935 . . . . 0.0 113.427 -179.408 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.6 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.969 -1.707 . . . . 0.0 112.227 -177.413 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.51 28.77 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.502 -1.374 . . . . 0.0 112.032 178.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.325 2.012 . . . . 0.0 115.585 -177.575 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.87 23.83 Favored 'General case' 0 C--O 1.296 3.516 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.103 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.53 130.3 50.9 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.461 1.028 . . . . 0.0 109.971 -177.555 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.83 72.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 125.128 1.517 . . . . 0.0 111.878 -177.475 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.64 18.89 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.51 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 112.245 -2.252 . . . . 0.0 110.768 177.394 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.5 61.11 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.296 2.855 . . . . 0.0 117.553 -179.49 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.4 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.708 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.32 37.5 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.029 -175.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.061 1.476 . . . . 0.0 109.973 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.19 29.01 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.781 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.87 85.23 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.117 1.207 . . . . 0.0 116.117 -177.341 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.59 17.02 Favored 'General case' 0 C--O 1.249 1.079 0 O-C-N 119.983 -1.893 . . . . 0.0 108.029 176.463 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.59 11.65 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.17 79.21 Favored 'General case' 0 C--O 1.203 -1.39 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.165 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.331 -1.748 . . . . 0.0 112.164 -179.453 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.459 1.123 . . . . 0.0 110.759 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.997 179.254 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.34 18.61 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-N 121.538 1.972 . . . . 0.0 111.196 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.033 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.165 175.807 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.174 2.171 . . . . 0.0 109.506 -176.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -54.75 143.02 26.64 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.205 1.479 . . . . 0.0 109.242 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 179.45 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.788 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.71 52.24 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.923 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.66 19.1 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.721 -2.561 . . . . 0.0 105.706 174.995 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.45 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 127.398 2.936 . . . . 0.0 105.872 177.951 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.85 30.9 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.609 -1.186 . . . . 0.0 111.502 176.558 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.93 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.104 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.173 0.511 . . . . 0.0 109.875 178.393 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.497 ' S1 ' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.477 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.9 38.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -113.61 4.57 16.17 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.517 -179.374 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 56.99 155.17 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.886 0 O-C-N 125.794 1.934 . . . . 0.0 109.838 -179.698 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.37 -48.86 76.15 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.857 -179.357 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 68.42 -163.31 49.15 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.673 -1.149 . . . . 0.0 115.007 -179.277 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.477 0 CA-C-O 116.386 -2.341 . . . . 0.0 108.352 179.235 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.943 2.652 . . . . 0.0 108.941 178.279 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 173.361 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.667 1 O-C-N 130.436 4.835 . . . . 0.0 108.784 179.571 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.482 175.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.52 41.19 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.422 4.201 . . . . 0.0 108.039 -178.132 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.79 8.35 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.9 49.33 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.053 0.846 . . . . 0.0 112.601 -177.952 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 115.838 -2.345 . . . . 0.0 111.972 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.38 80.38 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.097 -1.627 . . . . 0.0 116.113 179.732 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.11 34.33 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 174.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 126.629 2.456 . . . . 0.0 106.031 176.162 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 127.606 3.066 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.73 36.66 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.232 178.14 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.38 154.0 44.17 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.439 -179.188 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.22 4.075 . . . . 0.0 103.587 173.974 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.62 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.706 3.128 . . . . 0.0 111.202 -177.91 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.295 174.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.41 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.497 2.131 . . . . 0.0 111.944 177.698 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.875 -177.498 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.98 148.51 47.58 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.746 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.23 77.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.152 2.782 . . . . 0.0 110.382 175.738 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.49 79.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.736 176.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.5 87.13 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.302 1.041 . . . . 0.0 111.568 -179.659 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.44 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.044 1.465 . . . . 0.0 109.302 178.491 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.83 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.721 -179.761 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.09 87.38 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.029 0.377 . . . . 0.0 111.232 176.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.26 86.87 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.448 -1.407 . . . . 0.0 110.819 176.026 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.44 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.249 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.45 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.559 2.599 . . . . 0.0 109.002 179.471 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.63 66.65 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.39 17.94 Favored 'General case' 0 C--O 1.279 2.632 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.39 8.07 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.111 2.687 . . . . 0.0 113.981 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.16 Favored Glycine 0 CA--C 1.478 -2.225 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.525 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.86 83.41 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.062 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.35 Favored 'Trans proline' 0 C--O 1.259 1.535 0 C-N-CA 123.153 2.568 . . . . 0.0 110.935 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.07 92.59 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.871 0.932 . . . . 0.0 113.405 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.948 -1.72 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.515 -1.366 . . . . 0.0 112.009 178.703 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.77 34.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.311 2.005 . . . . 0.0 115.629 -177.611 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.33 115.95 23.9 Favored 'General case' 0 C--O 1.296 3.503 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 172.129 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.414 1.006 . . . . 0.0 109.968 -177.524 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 125.111 1.507 . . . . 0.0 111.92 -177.508 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 177.514 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.68 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.813 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.56 61.13 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 128.366 2.888 . . . . 0.0 117.464 -179.524 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.6 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 174.525 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.37 37.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.019 -175.896 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.98 36.77 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.042 1.464 . . . . 0.0 109.976 -177.776 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.21 29.24 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.744 3.609 . . . . 0.0 120.744 -175.85 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.3 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.56 17.01 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 120.04 -1.859 . . . . 0.0 107.988 176.518 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 177.111 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.158 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.96 -29.58 70.73 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.175 -179.444 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.466 1.127 . . . . 0.0 110.698 179.766 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.969 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.59 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.599 1.999 . . . . 0.0 111.236 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.212 -2.328 . . . . 0.0 106.157 175.826 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.5 8.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 126.078 2.111 . . . . 0.0 109.467 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 142.99 26.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.176 1.465 . . . . 0.0 109.296 -176.937 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.1 10.57 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.919 2.562 . . . . 0.0 117.919 179.508 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.747 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.17 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.663 176.015 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.741 174.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.78 46.42 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.421 2.95 . . . . 0.0 105.885 177.947 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.471 176.592 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 175.105 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.213 0.53 . . . . 0.0 109.833 178.459 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.477 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.444 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 140.1 31.27 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . 107.65 74.81 0.0 OUTLIER 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.558 -179.22 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -64.76 -42.29 95.25 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 125.812 1.945 . . . . 0.0 109.793 -179.77 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -156.79 154.06 29.32 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 113.738 -1.574 . . . . 0.0 108.892 -179.357 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -96.34 -171.45 34.99 Favored Glycine 0 C--O 1.244 0.727 0 CA-C-N 114.67 -1.15 . . . . 0.0 115.067 -179.428 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.457 0 CA-C-O 116.346 -2.363 . . . . 0.0 108.349 179.231 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.992 2.683 . . . . 0.0 108.941 178.319 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 CA-C-O 115.972 -1.966 . . . . 0.0 105.698 173.365 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.11 49.56 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.421 4.825 . . . . 0.0 108.759 179.583 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.02 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.508 175.815 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.51 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.377 4.173 . . . . 0.0 108.036 -178.156 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.91 49.44 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.039 0.837 . . . . 0.0 112.61 -177.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.796 -2.362 . . . . 0.0 111.989 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.51 80.27 Favored Glycine 0 C--N 1.297 -1.61 0 O-C-N 120.083 -1.636 . . . . 0.0 116.158 179.785 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.45 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.97 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.81 55.36 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.614 2.447 . . . . 0.0 106.005 176.135 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.53 3.019 . . . . 0.0 109.072 179.621 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.69 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.241 -1.784 . . . . 0.0 108.233 178.129 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.498 1.971 1 O-C-N 129.183 4.052 . . . . 0.0 103.568 174.021 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 127.697 3.123 . . . . 0.0 111.226 -177.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.174 -2.284 . . . . 0.0 106.309 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.41 39.39 Favored 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 122.587 2.192 . . . . 0.0 111.951 177.664 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.07 -0.966 . . . . 0.0 110.876 -177.463 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.53 47.4 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.876 -179.047 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.686 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.26 77.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.203 2.814 . . . . 0.0 110.39 175.791 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.19 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.742 176.976 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.48 87.11 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 124.288 1.035 . . . . 0.0 111.525 -179.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.41 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.038 1.461 . . . . 0.0 109.311 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.95 83.75 Favored 'General case' 0 C--O 1.257 1.459 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.02 87.05 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.032 0.378 . . . . 0.0 111.229 176.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.2 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.422 -1.424 . . . . 0.0 110.795 176.021 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.54 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.6 79.37 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.474 2.559 . . . . 0.0 108.995 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.74 66.55 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.703 179.182 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.37 17.97 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -175.65 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.4 8.07 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.075 2.671 . . . . 0.0 113.962 179.795 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.477 -2.293 0 N-CA-C 118.906 2.323 . . . . 0.0 118.906 176.551 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.84 83.39 Favored Pre-proline 0 C--O 1.243 0.711 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.006 179.696 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.87 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.138 2.559 . . . . 0.0 110.911 178.218 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.13 92.77 Favored 'Trans proline' 0 C--O 1.263 1.725 0 C-N-CA 120.71 0.94 . . . . 0.0 113.398 -179.337 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.956 -1.715 . . . . 0.0 112.205 -177.446 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.44 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.532 -1.355 . . . . 0.0 112.087 178.672 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.339 2.018 . . . . 0.0 115.616 -177.621 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.506 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 172.049 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.97 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.439 1.018 . . . . 0.0 109.986 -177.579 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.13 1.519 . . . . 0.0 111.931 -177.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 177.509 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.48 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 112.311 -2.222 . . . . 0.0 110.761 177.408 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.6 61.04 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.324 2.869 . . . . 0.0 117.517 -179.518 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 177.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.26 34.61 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.588 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.34 37.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.04 -175.885 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.72 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.051 1.469 . . . . 0.0 109.969 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.21 29.61 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.813 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.415 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 -177.391 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 120.0 -1.882 . . . . 0.0 108.019 176.493 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 177.145 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.25 79.29 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.136 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 117.31 -1.756 . . . . 0.0 112.163 -179.447 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.3 70.66 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 122.483 1.135 . . . . 0.0 110.767 179.758 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.72 51.36 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 117.642 -1.17 . . . . 0.0 112.975 179.245 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.59 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 121.568 1.985 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.182 175.838 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.47 8.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.565 -176.878 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.572 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.7 143.0 26.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.217 1.484 . . . . 0.0 109.23 -176.946 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.433 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.51 34.61 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.791 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.942 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 114.68 -2.581 . . . . 0.0 105.722 174.999 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 127.463 2.977 . . . . 0.0 105.895 177.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.642 -1.171 . . . . 0.0 111.496 176.575 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.137 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.41 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.584 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' LEU . . . -96.06 139.1 32.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 107.87 147.04 0.0 OUTLIER 'General case' 0 C--O 1.272 2.282 0 CA-C-O 113.412 -3.185 . . . . 0.0 105.525 -179.058 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -167.37 -74.33 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.899 0 O-C-N 125.777 1.923 . . . . 0.0 109.809 -179.429 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -134.25 138.49 45.09 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.877 -179.509 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -147.53 -120.06 1.15 Allowed Glycine 0 C--O 1.243 0.681 0 CA-C-N 114.663 -1.153 . . . . 0.0 115.069 -179.347 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.474 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.391 179.252 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 126.976 2.672 . . . . 0.0 108.891 178.336 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.433 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.48 Favored 'General case' 0 N--CA 1.512 2.659 1 O-C-N 130.494 4.871 . . . . 0.0 108.744 179.598 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.547 175.808 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.46 41.16 Favored 'General case' 0 N--CA 1.504 2.254 1 O-C-N 129.41 4.194 . . . . 0.0 108.082 -178.165 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.007 0.817 . . . . 0.0 112.585 -177.952 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.853 -2.339 . . . . 0.0 112.017 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.36 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.191 -1.568 . . . . 0.0 116.115 179.781 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 174.992 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 126.614 2.446 . . . . 0.0 106.036 176.167 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.592 3.058 . . . . 0.0 109.056 179.673 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.78 36.67 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.216 -1.794 . . . . 0.0 108.246 178.07 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.02 44.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.19 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.35 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.211 4.069 . . . . 0.0 103.567 174.007 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.67 3.106 . . . . 0.0 111.219 -177.885 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.51 37.76 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.306 174.684 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.46 39.16 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.581 2.187 . . . . 0.0 111.928 177.753 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.877 -177.518 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.47 47.49 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.339 -1.744 . . . . 0.0 109.857 -179.026 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 127.16 2.787 . . . . 0.0 110.375 175.77 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.44 79.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.396 -0.815 . . . . 0.0 110.732 176.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.81 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.362 1.065 . . . . 0.0 111.523 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.38 89.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.085 1.49 . . . . 0.0 109.291 178.509 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.94 83.78 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.05 87.07 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 117.989 0.359 . . . . 0.0 111.204 176.858 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.2 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.395 -1.441 . . . . 0.0 110.817 176.011 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.51 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.555 2.598 . . . . 0.0 109.003 179.47 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.72 66.72 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.75 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.42 17.94 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 -175.642 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.33 8.12 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.105 2.684 . . . . 0.0 113.982 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.44 90.12 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.897 2.319 . . . . 0.0 118.897 176.534 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.28 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.126 2.551 . . . . 0.0 110.935 178.222 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.17 92.75 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.716 0.944 . . . . 0.0 113.417 -179.383 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.981 -1.699 . . . . 0.0 112.19 -177.429 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.481 -1.387 . . . . 0.0 112.06 178.71 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.294 1.997 . . . . 0.0 115.669 -177.648 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.139 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.21 50.89 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.456 1.025 . . . . 0.0 109.979 -177.561 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.152 1.533 . . . . 0.0 111.913 -177.546 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.65 18.96 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.485 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.794 177.398 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.56 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.324 2.868 . . . . 0.0 117.535 -179.449 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.687 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.55 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.38 37.49 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.737 -1.125 . . . . 0.0 110.035 -175.9 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.7 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 125.054 1.471 . . . . 0.0 109.982 -177.75 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.13 30.11 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 -175.831 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.83 85.26 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -177.307 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.01 -1.877 . . . . 0.0 107.977 176.514 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.157 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.117 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.63 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.138 -179.49 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.32 70.49 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.419 1.104 . . . . 0.0 110.666 179.816 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.62 51.48 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.998 179.293 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.4 18.4 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.529 1.968 . . . . 0.0 111.184 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.183 175.812 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.086 2.116 . . . . 0.0 109.517 -176.866 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.74 143.05 26.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.24 1.495 . . . . 0.0 109.23 -176.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.16 10.64 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 179.453 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.797 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.73 52.21 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.955 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.73 -2.557 . . . . 0.0 105.695 175.063 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.81 46.39 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 127.348 2.905 . . . . 0.0 105.934 177.896 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.594 -1.193 . . . . 0.0 111.488 176.611 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.114 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.2 0.524 . . . . 0.0 109.866 178.384 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.584 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 139.74 31.8 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -149.93 -164.07 1.93 Allowed 'General case' 0 C--O 1.272 2.259 0 CA-C-O 113.393 -3.194 . . . . 0.0 105.495 -179.448 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 58.89 64.7 1.36 Allowed 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.787 1.93 . . . . 0.0 109.847 -179.642 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.59 -41.27 98.37 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.765 -1.561 . . . . 0.0 108.844 -179.315 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.96 159.22 26.46 Favored Glycine 0 C--O 1.243 0.69 0 CA-C-N 114.662 -1.153 . . . . 0.0 115.065 -179.467 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 CA-C-O 116.368 -2.351 . . . . 0.0 108.344 179.157 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.968 2.668 . . . . 0.0 108.941 178.28 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.411 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.436 4.835 . . . . 0.0 108.792 179.564 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.22 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.417 -3.182 . . . . 0.0 105.543 175.808 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.48 41.27 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.349 4.156 . . . . 0.0 108.035 -178.142 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.46 170.75 8.4 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.73 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.033 0.833 . . . . 0.0 112.584 -177.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 15.02 30.16 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.992 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.48 80.31 Favored Glycine 0 C--N 1.296 -1.641 0 O-C-N 120.16 -1.588 . . . . 0.0 116.126 179.757 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.935 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.589 2.431 . . . . 0.0 105.993 176.157 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.629 3.081 . . . . 0.0 109.083 179.609 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.185 178.16 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.01 44.26 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 115.331 -2.271 . . . . 0.0 108.416 -179.193 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.15 44.27 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.229 4.081 . . . . 0.0 103.523 173.995 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.64 15.86 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 O-C-N 127.711 3.132 . . . . 0.0 111.208 -177.918 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.53 37.74 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 112.143 -2.299 . . . . 0.0 106.3 174.724 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.33 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.566 2.177 . . . . 0.0 111.953 177.713 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.11 59.14 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.894 -177.487 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.47 47.52 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.046 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.41 21.25 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 175.658 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.28 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 127.155 2.784 . . . . 0.0 110.425 175.722 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.36 79.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.409 -0.807 . . . . 0.0 110.71 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.46 86.67 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.336 1.055 . . . . 0.0 111.504 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.52 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.076 1.485 . . . . 0.0 109.272 178.527 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.93 83.69 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.08 87.37 Favored 'General case' 0 C--O 1.279 2.643 0 CA-C-N 117.967 0.348 . . . . 0.0 111.227 176.889 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.31 87.03 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.41 -1.432 . . . . 0.0 110.796 176.02 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.264 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.907 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.6 79.27 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.527 2.584 . . . . 0.0 109.022 179.445 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.74 66.46 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.762 179.178 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 -175.693 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.4 8.1 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 123.133 2.697 . . . . 0.0 113.97 179.808 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.309 0 N-CA-C 118.885 2.314 . . . . 0.0 118.885 176.552 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.05 179.662 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.575 0 C-N-CA 123.142 2.562 . . . . 0.0 110.894 178.213 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.67 Favored 'Trans proline' 0 C--O 1.261 1.66 0 O-C-N 122.873 0.933 . . . . 0.0 113.398 -179.35 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.977 -1.702 . . . . 0.0 112.23 -177.461 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.551 -1.343 . . . . 0.0 112.036 178.714 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 124.351 2.024 . . . . 0.0 115.658 -177.699 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 116.0 24.05 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.139 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.98 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 119.422 1.01 . . . . 0.0 109.972 -177.591 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.147 1.529 . . . . 0.0 111.876 -177.535 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.521 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.94 19.65 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.302 -2.227 . . . . 0.0 110.758 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.57 60.94 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 128.374 2.892 . . . . 0.0 117.505 -179.505 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.655 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.58 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.041 -175.884 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.01 36.72 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.074 1.484 . . . . 0.0 109.999 -177.765 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.16 29.71 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.803 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.85 85.22 Favored Glycine 0 CA--C 1.492 -1.344 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.303 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.028 -1.866 . . . . 0.0 108.024 176.478 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.54 11.68 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.117 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.24 79.23 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.162 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.223 -179.511 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.28 70.54 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.452 1.12 . . . . 0.0 110.715 179.73 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.66 51.52 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.914 179.353 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.39 18.49 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.579 1.99 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.138 -2.363 . . . . 0.0 106.184 175.815 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.05 2.094 . . . . 0.0 109.56 -176.856 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 143.03 26.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.186 1.47 . . . . 0.0 109.26 -176.911 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.395 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 179.483 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.75 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.67 52.11 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.656 -2.592 . . . . 0.0 105.731 175.002 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.37 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.461 2.976 . . . . 0.0 105.885 177.923 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.767 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.532 176.566 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.125 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 178.462 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.36 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -95.17 -17.21 21.96 Favored 'General case' 0 C--O 1.273 2.307 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.502 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . 60.78 144.5 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 O-C-N 125.819 1.949 . . . . 0.0 109.816 -179.988 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -158.67 157.49 31.92 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 113.8 -1.545 . . . . 0.0 108.83 -179.32 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.2 93.08 0.09 OUTLIER Glycine 0 C--O 1.243 0.696 0 CA-C-N 114.671 -1.149 . . . . 0.0 115.091 -179.43 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.488 0 CA-C-O 116.362 -2.354 . . . . 0.0 108.353 179.323 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.936 2.648 . . . . 0.0 108.93 178.294 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 173.368 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.63 1 O-C-N 130.479 4.862 . . . . 0.0 108.773 179.585 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.406 -3.187 . . . . 0.0 105.512 175.79 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.51 41.25 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.071 -178.179 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.72 8.4 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -6.97 49.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.023 0.827 . . . . 0.0 112.612 -177.964 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.758 -2.377 . . . . 0.0 111.989 179.962 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.52 80.33 Favored Glycine 0 C--N 1.297 -1.629 0 O-C-N 120.095 -1.628 . . . . 0.0 116.141 179.745 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.964 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.543 2.402 . . . . 0.0 105.998 176.159 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 127.552 3.033 . . . . 0.0 109.086 179.615 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.76 36.73 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 117.288 -1.765 . . . . 0.0 108.281 178.122 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.06 44.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.449 -179.191 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.203 4.065 . . . . 0.0 103.587 174.003 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.684 3.115 . . . . 0.0 111.274 -177.937 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.207 -2.27 . . . . 0.0 106.341 174.705 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 111.972 177.684 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.916 -177.522 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 175.734 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.29 77.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 127.232 2.832 . . . . 0.0 110.372 175.803 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.48 79.14 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.367 -0.833 . . . . 0.0 110.734 176.979 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.4 87.15 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 124.349 1.06 . . . . 0.0 111.526 -179.625 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.45 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.06 1.475 . . . . 0.0 109.273 178.532 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.84 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.802 -179.751 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.07 87.35 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.978 0.354 . . . . 0.0 111.227 176.841 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.28 86.94 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 120.401 -1.437 . . . . 0.0 110.795 176.024 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.928 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.6 79.23 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.492 2.568 . . . . 0.0 109.007 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.38 -41.83 66.28 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.734 179.137 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.64 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.34 8.07 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.522 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.244 0.791 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.05 136.97 79.83 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.189 2.593 . . . . 0.0 110.892 178.187 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.65 Favored 'Trans proline' 0 C--O 1.262 1.698 0 C-N-CA 120.672 0.915 . . . . 0.0 113.37 -179.344 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 119.984 -1.697 . . . . 0.0 112.204 -177.437 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.534 -1.354 . . . . 0.0 112.043 178.678 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.76 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.647 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.88 Favored 'General case' 0 C--O 1.296 3.514 0 N-CA-C 104.91 -2.256 . . . . 0.0 104.91 172.115 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.485 1.039 . . . . 0.0 109.962 -177.547 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.119 1.512 . . . . 0.0 111.913 -177.491 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.17 129.72 19.05 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.482 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.98 19.4 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.289 -2.232 . . . . 0.0 110.718 177.349 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.59 60.97 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.349 2.88 . . . . 0.0 117.451 -179.555 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.69 46.29 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.66 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.533 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.006 -175.864 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.98 36.73 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.091 1.495 . . . . 0.0 109.977 -177.732 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.19 29.77 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.81 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.29 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.372 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.004 -1.88 . . . . 0.0 107.988 176.514 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.151 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.144 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.169 -179.464 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.25 70.65 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.462 1.125 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.66 51.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.709 -1.139 . . . . 0.0 113.01 179.268 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.35 18.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.528 1.967 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.097 -2.382 . . . . 0.0 106.183 175.784 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.151 2.157 . . . . 0.0 109.545 -176.861 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -54.73 143.02 26.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.248 1.499 . . . . 0.0 109.288 -176.941 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.14 10.62 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 179.515 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.54 34.52 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.795 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.7 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.9 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.703 -2.57 . . . . 0.0 105.729 174.998 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.181 0 O-C-N 127.418 2.949 . . . . 0.0 105.873 177.929 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.781 0 CA-C-O 117.598 -1.191 . . . . 0.0 111.526 176.577 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.076 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 178.479 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.532 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -122.59 140.05 53.24 Favored 'General case' 0 C--O 1.272 2.257 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.492 179.107 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -77.96 151.29 33.74 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 125.813 1.946 . . . . 0.0 109.813 -179.781 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -60.73 -42.72 97.89 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.759 -1.564 . . . . 0.0 108.865 -179.431 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 73' ' ' LEU . . . 89.19 179.41 45.51 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 114.667 -1.151 . . . . 0.0 115.053 -179.502 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 CA-C-O 116.394 -2.337 . . . . 0.0 108.355 179.256 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.22 31.76 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.959 2.662 . . . . 0.0 108.935 178.313 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.378 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.684 1 O-C-N 130.442 4.839 . . . . 0.0 108.766 179.58 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.497 175.843 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.52 41.29 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.379 4.174 . . . . 0.0 108.057 -178.174 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.03 49.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.023 0.827 . . . . 0.0 112.621 -177.976 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.98 30.27 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.957 179.957 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.49 80.32 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.121 -1.612 . . . . 0.0 116.132 179.711 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.06 34.48 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.02 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.8 55.39 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.621 2.451 . . . . 0.0 106.011 176.166 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.621 3.075 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.74 36.65 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.192 178.143 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.378 -2.248 . . . . 0.0 108.437 -179.193 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.188 4.055 . . . . 0.0 103.527 174.001 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.632 3.082 . . . . 0.0 111.232 -177.937 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.76 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.284 174.729 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.42 39.76 Favored 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 122.502 2.135 . . . . 0.0 111.959 177.682 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.886 -177.504 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.89 -179.043 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.42 21.19 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.232 2.832 . . . . 0.0 110.334 175.776 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.349 -0.844 . . . . 0.0 110.755 176.993 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.39 86.99 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.323 1.049 . . . . 0.0 111.521 -179.651 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.4 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 125.098 1.499 . . . . 0.0 109.305 178.547 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.93 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 117.973 0.351 . . . . 0.0 111.226 176.884 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 87.01 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.383 -1.448 . . . . 0.0 110.819 176.014 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.869 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.58 79.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 125.552 2.596 . . . . 0.0 108.995 179.487 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.54 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 113.648 -1.614 . . . . 0.0 111.75 179.179 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.41 17.93 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -175.638 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.08 2.673 . . . . 0.0 113.929 179.833 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 5.39 90.09 Favored Glycine 0 CA--C 1.478 -2.267 0 N-CA-C 118.852 2.301 . . . . 0.0 118.852 176.511 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.79 124.84 83.22 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.829 -1.148 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.566 0 C-N-CA 123.126 2.551 . . . . 0.0 110.909 178.229 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.19 92.82 Favored 'Trans proline' 0 C--O 1.262 1.685 0 C-N-CA 120.713 0.942 . . . . 0.0 113.409 -179.351 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 120.001 -1.687 . . . . 0.0 112.232 -177.422 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.79 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.455 -1.403 . . . . 0.0 112.072 178.699 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.26 1.981 . . . . 0.0 115.626 -177.637 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.93 23.96 Favored 'General case' 0 C--O 1.296 3.51 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 172.082 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.417 1.008 . . . . 0.0 109.983 -177.591 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 125.14 1.525 . . . . 0.0 111.881 -177.512 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.5 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.51 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.744 177.35 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.6 60.94 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.352 2.882 . . . . 0.0 117.51 -179.515 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 177.73 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 174.539 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.32 37.51 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.02 -175.882 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.02 36.68 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.092 1.495 . . . . 0.0 109.937 -177.744 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.18 29.89 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.833 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.492 -1.378 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.315 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.57 16.99 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 119.967 -1.902 . . . . 0.0 107.981 176.487 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.094 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.24 79.29 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.161 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.154 -179.482 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.34 70.62 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.474 1.131 . . . . 0.0 110.737 179.724 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.695 -1.145 . . . . 0.0 113.016 179.262 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.3 18.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.532 1.969 . . . . 0.0 111.195 179.857 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.15 175.832 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.12 2.138 . . . . 0.0 109.497 -176.827 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 39.2 ttmt -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.199 1.476 . . . . 0.0 109.271 -176.92 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.19 10.6 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 179.42 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.765 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.95 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.74 -2.552 . . . . 0.0 105.739 174.985 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.79 46.42 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.398 2.936 . . . . 0.0 105.905 177.94 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.779 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.509 176.587 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.94 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.128 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.183 0.516 . . . . 0.0 109.815 178.486 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.532 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 132.13 41.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . 179.1 173.84 0.75 Allowed 'General case' 0 C--O 1.273 2.294 0 CA-C-O 113.363 -3.208 . . . . 0.0 105.531 174.262 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 74.69 79.95 0.11 Allowed 'General case' 0 C--N 1.292 -1.912 0 O-C-N 125.807 1.942 . . . . 0.0 109.871 -178.703 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -152.82 -12.31 0.16 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 113.798 -1.546 . . . . 0.0 108.844 -179.362 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.46 -170.51 39.21 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 114.708 -1.133 . . . . 0.0 115.126 -179.404 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.407 179.198 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 126.936 2.648 . . . . 0.0 108.886 178.31 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.379 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.26 49.42 Favored 'General case' 0 N--CA 1.512 2.629 1 O-C-N 130.469 4.855 . . . . 0.0 108.802 179.518 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 113.447 -3.168 . . . . 0.0 105.476 175.824 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.422 4.201 . . . . 0.0 108.064 -178.164 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.89 49.24 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.004 0.815 . . . . 0.0 112.581 -177.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 115.821 -2.352 . . . . 0.0 111.991 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.53 80.3 Favored Glycine 0 C--N 1.298 -1.579 0 O-C-N 120.133 -1.604 . . . . 0.0 116.108 179.76 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.969 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.607 2.442 . . . . 0.0 106.013 176.123 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 127.616 3.073 . . . . 0.0 109.077 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.6 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.253 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.27 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.39 -2.243 . . . . 0.0 108.414 -179.165 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.46 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.193 4.058 . . . . 0.0 103.625 173.951 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.697 3.123 . . . . 0.0 111.206 -177.876 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.332 174.676 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.45 39.17 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.591 2.194 . . . . 0.0 111.963 177.689 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.868 -177.493 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.345 -1.742 . . . . 0.0 109.878 -179.089 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.43 21.24 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.699 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.221 2.826 . . . . 0.0 110.374 175.779 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.292 -0.88 . . . . 0.0 110.773 176.957 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.3 1.04 . . . . 0.0 111.532 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.066 1.479 . . . . 0.0 109.352 178.484 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.96 83.8 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.08 87.32 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 118.048 0.385 . . . . 0.0 111.198 176.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.98 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 120.368 -1.458 . . . . 0.0 110.793 176.015 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.925 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.55 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 125.487 2.565 . . . . 0.0 109.013 179.454 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.68 66.71 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.746 179.155 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.46 17.94 Favored 'General case' 0 C--O 1.279 2.639 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.696 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.122 2.692 . . . . 0.0 113.973 179.792 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.42 90.1 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.54 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.021 179.708 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.57 Favored 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 123.191 2.594 . . . . 0.0 110.9 178.211 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.18 92.8 Favored 'Trans proline' 0 C--O 1.263 1.731 0 O-C-N 122.906 0.951 . . . . 0.0 113.394 -179.362 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.976 -1.702 . . . . 0.0 112.225 -177.445 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.84 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.477 -1.39 . . . . 0.0 112.014 178.694 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.378 2.037 . . . . 0.0 115.606 -177.621 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.04 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 172.119 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.68 130.27 51.13 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.454 1.024 . . . . 0.0 109.997 -177.508 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 125.23 1.581 . . . . 0.0 111.912 -177.486 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.543 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.06 19.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.774 177.399 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.59 60.85 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.319 2.866 . . . . 0.0 117.505 -179.502 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.675 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.796 -2.668 . . . . 0.0 103.796 174.564 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.728 -1.13 . . . . 0.0 110.023 -175.883 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.07 1.481 . . . . 0.0 109.938 -177.69 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.68 Favored 'General case' 0 C--O 1.266 1.931 0 N-CA-C 120.711 3.597 . . . . 0.0 120.711 -175.827 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 -177.367 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.54 17.03 Favored 'General case' 0 C--O 1.25 1.086 0 O-C-N 119.952 -1.91 . . . . 0.0 108.032 176.487 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.134 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.24 79.25 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.162 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.63 70.8 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.176 -179.48 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.52 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.498 1.142 . . . . 0.0 110.775 179.698 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.65 51.5 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.007 179.271 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.43 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 121.549 1.977 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.164 175.831 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.111 2.132 . . . . 0.0 109.535 -176.868 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -54.74 143.06 26.47 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 123.208 1.48 . . . . 0.0 109.272 -176.906 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.465 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 174.819 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.63 52.05 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.965 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.62 19.11 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.73 174.995 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.87 177.919 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.79 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.552 176.541 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.102 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.188 0.518 . . . . 0.0 109.85 178.4 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.446 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.583 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.84 35.98 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -87.17 36.37 0.73 Allowed 'General case' 0 C--O 1.272 2.243 0 CA-C-O 113.377 -3.202 . . . . 0.0 105.487 -179.871 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 55.66 173.3 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.929 0 O-C-N 125.83 1.956 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -72.45 149.4 44.25 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.825 -179.452 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.67 167.74 54.29 Favored Glycine 0 C--O 1.243 0.716 0 CA-C-N 114.646 -1.161 . . . . 0.0 115.124 -178.981 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.392 -2.338 . . . . 0.0 108.362 179.068 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.25 31.74 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.933 2.645 . . . . 0.0 108.914 178.347 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.396 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.24 49.44 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.457 4.848 . . . . 0.0 108.797 179.54 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.13 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.479 175.869 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.47 41.17 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.429 4.206 . . . . 0.0 108.107 -178.201 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.78 8.37 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.92 49.51 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.012 0.82 . . . . 0.0 112.595 -177.939 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.021 179.952 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.38 Favored Glycine 0 C--N 1.298 -1.559 0 O-C-N 120.186 -1.571 . . . . 0.0 116.167 179.765 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.11 34.35 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 175.011 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.585 2.428 . . . . 0.0 106.053 176.127 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 127.629 3.081 . . . . 0.0 109.037 179.666 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.229 178.094 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.02 44.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 115.391 -2.242 . . . . 0.0 108.449 -179.189 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.24 44.5 Favored 'General case' 0 N--CA 1.499 2.016 1 O-C-N 129.142 4.026 . . . . 0.0 103.581 173.981 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.63 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.7 3.125 . . . . 0.0 111.218 -177.879 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.972 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.348 174.675 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.49 39.75 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.52 2.146 . . . . 0.0 111.969 177.73 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -177.478 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.5 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.361 -1.736 . . . . 0.0 109.88 -179.043 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.72 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.197 2.81 . . . . 0.0 110.374 175.754 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.4 79.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.407 -0.808 . . . . 0.0 110.747 176.963 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.46 86.95 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.298 1.039 . . . . 0.0 111.515 -179.609 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 125.104 1.502 . . . . 0.0 109.337 178.495 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.99 83.75 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.03 87.18 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 118.012 0.369 . . . . 0.0 111.264 176.851 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.343 -1.473 . . . . 0.0 110.792 175.983 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.42 77.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.58 79.32 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.512 2.577 . . . . 0.0 109.065 179.429 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.55 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.624 -1.625 . . . . 0.0 111.712 179.135 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.42 17.98 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.673 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.12 2.691 . . . . 0.0 113.929 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.13 Favored Glycine 0 CA--C 1.477 -2.289 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.513 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.055 179.648 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.91 79.44 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.174 2.583 . . . . 0.0 110.9 178.196 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.66 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 122.858 0.925 . . . . 0.0 113.405 -179.371 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.925 -1.734 . . . . 0.0 112.2 -177.461 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.76 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.515 -1.365 . . . . 0.0 112.011 178.689 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.75 34.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 124.292 1.996 . . . . 0.0 115.631 -177.661 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.5 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.093 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.454 1.025 . . . . 0.0 110.006 -177.615 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.139 1.524 . . . . 0.0 111.925 -177.527 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.69 18.9 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.518 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.01 19.3 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.777 177.417 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.51 61.06 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.371 2.891 . . . . 0.0 117.532 -179.477 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.68 46.3 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.686 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.555 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.44 37.51 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.009 -175.859 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.082 1.489 . . . . 0.0 109.916 -177.714 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.96 85.15 Favored Glycine 0 CA--C 1.492 -1.348 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.312 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.53 17.1 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 120.051 -1.852 . . . . 0.0 108.021 176.49 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.071 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 177.187 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.131 -179.457 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.33 70.55 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.495 1.141 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.31 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.969 179.307 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.39 18.53 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.536 1.971 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.36 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.11 -2.376 . . . . 0.0 106.18 175.823 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 126.064 2.103 . . . . 0.0 109.53 -176.841 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 0.1 OUTLIER -54.71 143.05 26.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.137 1.446 . . . . 0.0 109.287 -176.908 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 179.499 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 174.791 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.22 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.968 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.6 19.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.658 -2.591 . . . . 0.0 105.751 175.008 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.38 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 127.426 2.954 . . . . 0.0 105.888 177.902 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.515 176.59 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.606 -2.739 . . . . 0.0 103.606 175.135 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 178.499 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.445 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.52 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.566 ' C ' ' H ' ' A' ' 73' ' ' LEU . . . -96.06 139.07 32.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -54.84 -4.91 0.08 Allowed 'General case' 0 C--O 1.273 2.329 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.526 -179.685 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.566 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 81.64 75.43 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.764 1.915 . . . . 0.0 109.859 -179.756 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 44.02 -110.53 0.18 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.834 -1.53 . . . . 0.0 108.85 -179.451 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.16 -171.63 35.12 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.05 -179.492 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.498 0 CA-C-O 116.393 -2.337 . . . . 0.0 108.347 179.22 . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 126.963 2.664 . . . . 0.0 108.952 178.326 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 162.99 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.386 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.2 49.47 Favored 'General case' 0 N--CA 1.511 2.618 1 O-C-N 130.451 4.844 . . . . 0.0 108.798 179.575 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.506 175.825 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.5 41.18 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.382 4.176 . . . . 0.0 108.057 -178.191 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.96 49.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.053 0.845 . . . . 0.0 112.606 -177.928 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.974 179.918 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.43 80.32 Favored Glycine 0 C--N 1.297 -1.601 0 O-C-N 120.136 -1.602 . . . . 0.0 116.143 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.01 34.47 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 174.972 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.77 55.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.595 2.435 . . . . 0.0 106.024 176.142 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 127.628 3.08 . . . . 0.0 109.076 179.656 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.6 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.226 178.153 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.05 44.22 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 115.365 -2.255 . . . . 0.0 108.475 -179.207 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.4 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.176 4.048 . . . . 0.0 103.59 174.0 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.67 3.106 . . . . 0.0 111.256 -177.911 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.06 144.51 37.82 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.309 174.701 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.5 39.27 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.516 2.144 . . . . 0.0 111.944 177.712 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.901 -177.511 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.53 47.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.897 -179.038 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.46 21.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.681 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.27 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.186 2.804 . . . . 0.0 110.401 175.734 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.04 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.341 -0.85 . . . . 0.0 110.72 176.999 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.49 87.06 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.301 1.04 . . . . 0.0 111.494 -179.594 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.069 1.481 . . . . 0.0 109.297 178.511 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.92 83.61 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.783 -179.764 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.33 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-N 117.965 0.348 . . . . 0.0 111.177 176.884 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.18 -37.4 87.34 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.347 -1.471 . . . . 0.0 110.814 176.043 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.58 79.49 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.515 2.579 . . . . 0.0 108.982 179.446 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.68 66.63 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.772 179.14 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.691 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 -175.677 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.149 2.704 . . . . 0.0 113.961 179.802 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.478 -2.224 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.779 -1.169 . . . . 0.0 111.003 179.712 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.164 2.576 . . . . 0.0 110.906 178.223 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.14 92.61 Favored 'Trans proline' 0 C--O 1.262 1.696 0 C-N-CA 120.695 0.93 . . . . 0.0 113.417 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.926 -1.734 . . . . 0.0 112.218 -177.44 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.46 28.99 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.494 -1.379 . . . . 0.0 112.01 178.778 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.342 2.02 . . . . 0.0 115.584 -177.596 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.296 3.546 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.98 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.482 1.037 . . . . 0.0 110.016 -177.568 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.81 72.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.129 1.518 . . . . 0.0 111.935 -177.529 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.73 19.02 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.522 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.11 19.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 112.227 -2.261 . . . . 0.0 110.745 177.359 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.62 60.86 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 128.387 2.898 . . . . 0.0 117.487 -179.515 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.664 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.54 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.36 37.52 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.028 -175.909 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.72 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.031 1.457 . . . . 0.0 109.931 -177.749 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.17 29.62 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.9 85.22 Favored Glycine 0 CA--C 1.491 -1.438 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 119.976 -1.897 . . . . 0.0 108.005 176.527 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 177.127 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.27 79.47 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.151 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.81 -29.6 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.273 -1.771 . . . . 0.0 112.191 -179.534 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.31 70.6 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.528 1.156 . . . . 0.0 110.749 179.753 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.67 51.49 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.264 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.59 1.995 . . . . 0.0 111.19 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.212 175.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.107 2.13 . . . . 0.0 109.5 -176.831 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.61 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.163 1.458 . . . . 0.0 109.286 -176.881 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.24 10.67 Favored 'General case' 0 C--O 1.255 1.387 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 179.486 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.53 34.49 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.72 52.21 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.93 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.64 19.13 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.75 -2.548 . . . . 0.0 105.695 175.034 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.39 Favored 'General case' 0 C--N 1.286 -2.174 0 O-C-N 127.391 2.932 . . . . 0.0 105.877 177.929 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.579 -1.201 . . . . 0.0 111.537 176.596 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.149 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.161 0.505 . . . . 0.0 109.833 178.442 . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.52 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.0 35.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -69.66 -17.63 63.51 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.501 179.436 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 60.12 142.59 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.913 0 O-C-N 125.805 1.94 . . . . 0.0 109.825 -179.694 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . 60.25 127.37 0.01 OUTLIER 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.86 -179.467 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.76 -169.68 46.13 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.646 -1.161 . . . . 0.0 115.071 -179.341 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.336 -2.369 . . . . 0.0 108.396 179.32 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 127.009 2.693 . . . . 0.0 108.912 178.283 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 173.389 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.57 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.542 175.796 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.2 127.51 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.156 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.37 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.801 -1.095 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.95 49.58 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.092 0.87 . . . . 0.0 112.597 -177.979 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.006 179.955 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.42 80.36 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.129 -1.607 . . . . 0.0 116.169 179.777 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.06 34.42 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 174.994 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 126.648 2.467 . . . . 0.0 105.964 176.167 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 127.569 3.043 . . . . 0.0 109.066 179.595 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.24 178.096 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.03 44.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.332 -2.27 . . . . 0.0 108.394 -179.137 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.259 4.1 . . . . 0.0 103.53 174.031 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.68 15.75 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.657 3.098 . . . . 0.0 111.21 -177.912 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.54 37.84 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.56 2.173 . . . . 0.0 111.981 177.689 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.17 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.86 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.45 47.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.839 -179.021 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.72 160.4 21.3 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.668 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 O-C-N 127.167 2.792 . . . . 0.0 110.398 175.797 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.46 78.99 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.383 -0.823 . . . . 0.0 110.746 176.969 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.47 87.13 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.299 1.04 . . . . 0.0 111.512 -179.641 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.085 1.491 . . . . 0.0 109.339 178.5 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.02 83.81 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.746 -179.748 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.21 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.013 0.369 . . . . 0.0 111.268 176.869 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.424 -1.423 . . . . 0.0 110.819 176.01 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.55 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.93 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.48 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.572 2.606 . . . . 0.0 109.048 179.485 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.761 179.122 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.64 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.36 8.09 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 123.097 2.68 . . . . 0.0 113.99 179.814 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.279 0 N-CA-C 118.918 2.327 . . . . 0.0 118.918 176.553 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.35 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.97 79.89 Favored 'Trans proline' 0 C--O 1.259 1.559 0 C-N-CA 123.133 2.556 . . . . 0.0 110.901 178.204 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.18 92.86 Favored 'Trans proline' 0 C--O 1.263 1.725 0 O-C-N 122.891 0.943 . . . . 0.0 113.411 -179.397 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.895 -1.753 . . . . 0.0 112.197 -177.412 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.92 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.516 -1.365 . . . . 0.0 112.048 178.735 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.334 2.016 . . . . 0.0 115.608 -177.674 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 172.11 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.32 51.08 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.511 1.05 . . . . 0.0 110.003 -177.577 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.249 1.593 . . . . 0.0 111.895 -177.482 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.385 -2.079 . . . . 0.0 105.385 177.502 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.243 -2.253 . . . . 0.0 110.782 177.37 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.96 Favored Glycine 0 N--CA 1.433 -1.526 0 C-N-CA 128.342 2.877 . . . . 0.0 117.488 -179.522 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.67 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 174.52 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.051 -175.894 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.71 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.026 1.454 . . . . 0.0 109.956 -177.731 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.8 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.794 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.87 85.27 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.334 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.54 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.99 -1.888 . . . . 0.0 108.034 176.506 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.165 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.1 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.175 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.18 -179.473 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.61 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 122.474 1.13 . . . . 0.0 110.718 179.75 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.56 51.69 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.978 179.288 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.36 18.34 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 121.581 1.991 . . . . 0.0 111.2 179.895 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.157 175.824 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.145 2.153 . . . . 0.0 109.502 -176.833 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 24.9 ttpp -54.81 143.07 26.79 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 123.253 1.502 . . . . 0.0 109.283 -176.948 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 179.514 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.796 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.29 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.964 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.757 174.951 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.41 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.397 2.936 . . . . 0.0 105.941 177.932 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.645 -1.169 . . . . 0.0 111.477 176.648 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.91 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.11 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.169 0.509 . . . . 0.0 109.829 178.468 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.446 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.553 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 133.7 39.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 159.76 -163.3 0.0 OUTLIER 'General case' 0 C--O 1.273 2.299 0 CA-C-O 113.379 -3.2 . . . . 0.0 105.524 174.365 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . 76.6 40.14 0.23 Allowed 'General case' 0 C--N 1.292 -1.91 0 O-C-N 125.825 1.953 . . . . 0.0 109.849 -178.997 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -132.43 128.01 36.58 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 113.761 -1.563 . . . . 0.0 108.841 -179.232 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -162.13 175.94 38.57 Favored Glycine 0 C--O 1.243 0.683 0 CA-C-N 114.64 -1.163 . . . . 0.0 115.07 -179.646 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.46 0 CA-C-O 116.326 -2.375 . . . . 0.0 108.407 179.043 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 126.987 2.679 . . . . 0.0 108.906 178.333 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 173.34 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.22 49.46 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.425 4.828 . . . . 0.0 108.78 179.574 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.456 175.849 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.54 41.29 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.379 4.174 . . . . 0.0 108.082 -178.201 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.71 8.41 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.99 49.79 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.069 0.856 . . . . 0.0 112.596 -177.95 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.991 179.927 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.118 -1.613 . . . . 0.0 116.169 179.786 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.44 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 174.977 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.677 2.486 . . . . 0.0 106.018 176.135 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 127.608 3.068 . . . . 0.0 109.017 179.699 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.8 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.266 -1.774 . . . . 0.0 108.261 178.085 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.418 -179.189 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.47 Favored 'General case' 0 N--CA 1.498 1.965 1 O-C-N 129.175 4.047 . . . . 0.0 103.578 174.014 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.748 3.155 . . . . 0.0 111.206 -177.886 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.162 -2.29 . . . . 0.0 106.374 174.629 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.35 Favored 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 122.537 2.158 . . . . 0.0 111.96 177.747 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.951 -177.559 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.46 47.56 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.34 -1.744 . . . . 0.0 109.854 -179.045 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.42 21.25 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.702 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 O-C-N 127.184 2.803 . . . . 0.0 110.368 175.829 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.385 -0.822 . . . . 0.0 110.744 176.995 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.94 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.329 1.052 . . . . 0.0 111.513 -179.65 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.108 1.505 . . . . 0.0 109.292 178.539 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.69 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 -179.741 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.99 87.03 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.001 0.364 . . . . 0.0 111.209 176.891 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 120.355 -1.466 . . . . 0.0 110.803 176.025 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.49 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.61 79.26 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.475 2.559 . . . . 0.0 109.019 179.476 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.43 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.745 179.161 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.93 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.686 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.086 2.676 . . . . 0.0 113.972 179.838 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.28 5.29 90.14 Favored Glycine 0 CA--C 1.478 -2.278 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.55 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.29 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.791 -1.163 . . . . 0.0 111.048 179.662 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.89 79.33 Favored 'Trans proline' 0 C--O 1.259 1.545 0 C-N-CA 123.097 2.531 . . . . 0.0 110.928 178.228 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.699 0 O-C-N 122.84 0.916 . . . . 0.0 113.431 -179.323 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.96 -1.712 . . . . 0.0 112.225 -177.444 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.48 28.92 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.472 -1.392 . . . . 0.0 112.03 178.719 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.295 1.998 . . . . 0.0 115.669 -177.726 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.95 23.98 Favored 'General case' 0 C--O 1.296 3.504 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.094 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.25 51.0 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.435 1.016 . . . . 0.0 110.032 -177.573 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.8 72.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 O-C-N 125.117 1.511 . . . . 0.0 111.932 -177.503 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.734 177.364 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.63 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.375 2.893 . . . . 0.0 117.536 -179.5 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.684 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 174.565 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.41 37.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.046 -175.884 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.96 36.8 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 125.054 1.471 . . . . 0.0 109.987 -177.759 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.16 -42.29 29.16 Favored 'General case' 0 C--O 1.266 1.93 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.838 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.9 85.26 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.287 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.6 17.02 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.993 -1.886 . . . . 0.0 107.978 176.506 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.137 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.22 79.38 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.21 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.61 70.78 Favored 'General case' 0 C--O 1.267 2.022 0 C-N-CA 117.309 -1.756 . . . . 0.0 112.18 -179.477 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.57 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.486 1.136 . . . . 0.0 110.701 179.809 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.967 179.294 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.37 18.62 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.563 1.983 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.066 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.163 175.801 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 126.077 2.11 . . . . 0.0 109.534 -176.868 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.411 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 27.3 ttpp -54.77 143.06 26.65 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.197 1.475 . . . . 0.0 109.221 -176.894 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.18 10.63 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 179.443 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.802 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.66 52.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.948 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.71 175.001 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.73 46.54 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.413 2.946 . . . . 0.0 105.88 177.951 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.581 -1.199 . . . . 0.0 111.545 176.529 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.96 28.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.154 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.215 0.531 . . . . 0.0 109.817 178.457 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.553 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 134.17 39.42 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . 161.06 -164.78 0.0 OUTLIER 'General case' 0 C--O 1.272 2.288 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.535 179.907 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 72.61 13.97 5.21 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 125.776 1.923 . . . . 0.0 109.802 -179.673 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -75.97 155.86 34.66 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 113.737 -1.574 . . . . 0.0 108.827 -179.445 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.12 172.45 54.72 Favored Glycine 0 C--O 1.243 0.69 0 CA-C-N 114.633 -1.167 . . . . 0.0 115.068 -179.434 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 CA-C-O 116.437 -2.313 . . . . 0.0 108.315 179.241 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.924 2.64 . . . . 0.0 108.901 178.294 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.0 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 173.366 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.17 49.51 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.463 4.852 . . . . 0.0 108.816 179.559 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.534 175.848 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.45 41.14 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.398 4.186 . . . . 0.0 108.081 -178.176 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.79 8.36 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.9 49.39 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.042 0.839 . . . . 0.0 112.573 -177.957 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.828 -2.349 . . . . 0.0 111.98 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.33 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.125 -1.61 . . . . 0.0 116.13 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.989 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.621 2.451 . . . . 0.0 106.003 176.155 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.554 3.034 . . . . 0.0 109.002 179.648 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.225 -1.79 . . . . 0.0 108.258 178.072 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.372 -2.252 . . . . 0.0 108.405 -179.151 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.18 44.34 Favored 'General case' 0 N--CA 1.498 1.972 1 O-C-N 129.169 4.043 . . . . 0.0 103.579 173.976 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.59 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.747 3.154 . . . . 0.0 111.215 -177.928 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.47 37.55 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.113 -2.312 . . . . 0.0 106.333 174.682 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 122.52 2.147 . . . . 0.0 111.968 177.725 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.53 47.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.873 -179.037 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.706 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.3 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.179 2.799 . . . . 0.0 110.347 175.753 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.48 78.94 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.685 177.04 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.16 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.301 1.041 . . . . 0.0 111.542 -179.616 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.45 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.042 1.464 . . . . 0.0 109.325 178.472 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.83 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.788 -179.78 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.06 87.24 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 118.003 0.365 . . . . 0.0 111.205 176.863 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 120.449 -1.407 . . . . 0.0 110.802 176.034 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.04 -39.4 77.23 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.64 79.12 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.51 2.576 . . . . 0.0 108.978 179.501 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.42 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.763 179.134 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.28 2.67 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.673 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.185 2.72 . . . . 0.0 113.957 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.34 90.15 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.859 2.304 . . . . 0.0 118.859 176.501 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.88 83.36 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.821 -1.152 . . . . 0.0 110.986 179.706 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.85 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.193 2.596 . . . . 0.0 110.878 178.18 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.31 -32.1 92.81 Favored 'Trans proline' 0 C--O 1.262 1.682 0 C-N-CA 120.67 0.914 . . . . 0.0 113.428 -179.356 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.952 -1.718 . . . . 0.0 112.18 -177.447 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.48 28.9 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.493 -1.38 . . . . 0.0 112.069 178.684 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.67 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.312 2.006 . . . . 0.0 115.652 -177.659 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.98 24.03 Favored 'General case' 0 C--O 1.295 3.497 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 172.095 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.441 1.019 . . . . 0.0 109.961 -177.533 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.168 1.542 . . . . 0.0 111.951 -177.537 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 177.53 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.96 19.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.785 177.374 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.55 61.18 Favored Glycine 0 N--CA 1.432 -1.574 0 C-N-CA 128.399 2.904 . . . . 0.0 117.453 -179.512 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.706 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.37 37.52 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.702 -1.142 . . . . 0.0 110.053 -175.907 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 125.094 1.496 . . . . 0.0 110.006 -177.726 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.28 29.35 Favored 'General case' 0 C--O 1.266 1.921 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.801 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.295 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.52 17.07 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.965 -1.903 . . . . 0.0 107.974 176.525 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.104 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.35 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.184 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.82 -29.7 70.87 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.341 -1.744 . . . . 0.0 112.151 -179.5 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.46 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.422 1.106 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.66 51.46 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 117.726 -1.13 . . . . 0.0 113.021 179.272 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.5 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.531 1.969 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.146 175.863 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.086 2.116 . . . . 0.0 109.551 -176.873 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -54.73 143.0 26.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.231 1.491 . . . . 0.0 109.269 -176.933 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.489 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.829 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.987 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.65 19.09 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 114.684 -2.579 . . . . 0.0 105.757 174.981 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.43 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.419 2.949 . . . . 0.0 105.892 177.917 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.787 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.498 176.593 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.112 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.181 0.515 . . . . 0.0 109.823 178.472 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.452 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.504 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 0.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.54 37.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -96.28 132.24 41.96 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.492 -178.024 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -71.38 137.75 48.63 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.847 1.967 . . . . 0.0 109.831 179.811 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -58.97 134.5 57.02 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.846 -179.509 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.41 173.72 43.15 Favored Glycine 0 C--O 1.243 0.661 0 CA-C-N 114.66 -1.155 . . . . 0.0 115.087 -179.359 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 CA-C-O 116.408 -2.329 . . . . 0.0 108.434 179.431 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 127.027 2.705 . . . . 0.0 108.942 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 173.438 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.65 1 O-C-N 130.454 4.846 . . . . 0.0 108.787 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.533 175.818 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.5 41.2 Favored 'General case' 0 N--CA 1.504 2.23 1 O-C-N 129.387 4.179 . . . . 0.0 108.045 -178.135 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.027 0.83 . . . . 0.0 112.561 -177.917 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.3 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.994 179.971 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.52 80.3 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.196 -1.565 . . . . 0.0 116.141 179.803 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 174.96 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.599 2.437 . . . . 0.0 105.999 176.185 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.586 3.054 . . . . 0.0 109.041 179.67 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 117.205 -1.798 . . . . 0.0 108.172 178.17 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.07 44.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.425 -179.217 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.22 44.43 Favored 'General case' 0 N--CA 1.499 1.98 1 O-C-N 129.207 4.067 . . . . 0.0 103.561 174.032 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.66 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.669 3.105 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.55 37.85 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 112.157 -2.292 . . . . 0.0 106.338 174.697 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.43 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.584 2.189 . . . . 0.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.909 -177.524 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.46 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.879 -179.024 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.38 21.29 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 175.753 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.217 2.823 . . . . 0.0 110.362 175.81 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.14 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.342 -0.849 . . . . 0.0 110.75 176.941 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.354 1.062 . . . . 0.0 111.518 -179.655 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.39 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.123 1.514 . . . . 0.0 109.291 178.543 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.88 -37.9 83.76 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.775 -179.797 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.02 87.03 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 118.02 0.373 . . . . 0.0 111.217 176.894 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.39 87.29 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.446 -1.409 . . . . 0.0 110.802 176.025 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.51 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.12 -48.59 79.45 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.464 2.554 . . . . 0.0 109.006 179.494 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.71 66.68 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.701 179.148 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.48 17.96 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.662 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.29 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.149 2.704 . . . . 0.0 113.969 179.779 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.508 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.01 179.706 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.26 1.585 0 C-N-CA 123.187 2.591 . . . . 0.0 110.953 178.206 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.79 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.909 0.952 . . . . 0.0 113.409 -179.354 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 120.02 -1.675 . . . . 0.0 112.183 -177.415 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.78 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.567 -1.333 . . . . 0.0 112.011 178.715 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.301 2.0 . . . . 0.0 115.595 -177.635 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.97 24.03 Favored 'General case' 0 C--O 1.296 3.507 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.119 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.04 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 119.443 1.019 . . . . 0.0 109.983 -177.563 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.139 1.524 . . . . 0.0 111.927 -177.542 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.93 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.518 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.229 -2.259 . . . . 0.0 110.788 177.369 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.48 61.03 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.352 2.882 . . . . 0.0 117.536 -179.464 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.717 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.81 130.25 34.61 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.54 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.017 -175.875 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 125.076 1.485 . . . . 0.0 109.958 -177.725 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.705 3.594 . . . . 0.0 120.705 -175.856 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.88 85.2 Favored Glycine 0 CA--C 1.491 -1.411 0 N-CA-C 116.097 1.199 . . . . 0.0 116.097 -177.335 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.55 17.07 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.05 -1.853 . . . . 0.0 107.997 176.533 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.266 -1.773 . . . . 0.0 112.2 -179.501 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.38 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.443 1.116 . . . . 0.0 110.685 179.793 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.71 51.32 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.711 -1.138 . . . . 0.0 112.971 179.311 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.28 18.5 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 121.578 1.99 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.063 0 CA-C-O 115.139 -2.363 . . . . 0.0 106.174 175.828 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.07 2.106 . . . . 0.0 109.57 -176.879 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -54.67 143.01 26.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 123.168 1.461 . . . . 0.0 109.275 -176.949 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.23 10.67 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.441 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.51 34.55 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.771 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.952 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.65 19.12 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.745 174.999 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.394 2.934 . . . . 0.0 105.876 177.969 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.798 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.492 176.611 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.95 28.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.133 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 178.434 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.56 ' S1 ' ' H72' ' A' ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.451 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.73 38.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 129.91 161.44 0.0 OUTLIER 'General case' 0 C--O 1.273 2.303 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.498 -179.032 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . -162.95 -40.78 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 125.795 1.935 . . . . 0.0 109.838 -179.873 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -157.78 152.33 24.95 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.847 -179.236 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.68 -167.03 37.78 Favored Glycine 0 C--O 1.243 0.686 0 CA-C-N 114.626 -1.17 . . . . 0.0 115.066 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 CA-C-O 116.411 -2.327 . . . . 0.0 108.341 179.127 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.11 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.977 2.673 . . . . 0.0 108.9 178.323 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.393 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.98 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.419 4.824 . . . . 0.0 108.805 179.563 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.513 175.826 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.237 1 O-C-N 129.372 4.17 . . . . 0.0 108.081 -178.159 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.92 49.41 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.002 0.814 . . . . 0.0 112.572 -177.921 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.03 30.14 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.837 -2.345 . . . . 0.0 112.026 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.53 80.37 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.156 -1.59 . . . . 0.0 116.158 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.05 34.47 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.952 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.575 2.422 . . . . 0.0 105.993 176.165 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.93 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 127.599 3.062 . . . . 0.0 109.027 179.654 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.8 36.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.22 178.106 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.337 -2.268 . . . . 0.0 108.442 -179.167 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.21 44.43 Favored 'General case' 0 N--CA 1.498 1.964 1 O-C-N 129.193 4.058 . . . . 0.0 103.557 173.995 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 O-C-N 127.742 3.151 . . . . 0.0 111.255 -177.904 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.185 -2.28 . . . . 0.0 106.286 174.705 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.45 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.514 2.143 . . . . 0.0 111.933 177.719 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.873 -177.478 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.52 47.52 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.844 -179.016 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 O-C-N 127.166 2.791 . . . . 0.0 110.387 175.772 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.337 -0.852 . . . . 0.0 110.747 176.938 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.44 86.98 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.281 1.033 . . . . 0.0 111.544 -179.633 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.016 1.448 . . . . 0.0 109.285 178.492 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.41 Favored 'General case' 0 C--O 1.278 2.578 0 CA-C-N 118.002 0.364 . . . . 0.0 111.196 176.889 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 120.424 -1.422 . . . . 0.0 110.814 175.996 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.231 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.59 79.32 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.517 2.579 . . . . 0.0 109.007 179.488 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.56 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.38 17.95 Favored 'General case' 0 C--O 1.279 2.605 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -175.66 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.13 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 123.083 2.674 . . . . 0.0 113.926 179.82 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.13 Favored Glycine 0 CA--C 1.478 -2.248 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.535 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.021 179.686 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.92 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.169 2.579 . . . . 0.0 110.929 178.164 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.11 92.6 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.853 0.923 . . . . 0.0 113.434 -179.35 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.815 0 O-C-N 119.993 -1.692 . . . . 0.0 112.205 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.46 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.526 -1.359 . . . . 0.0 112.047 178.671 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.74 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.328 2.014 . . . . 0.0 115.64 -177.633 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.88 23.85 Favored 'General case' 0 C--O 1.295 3.49 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.107 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.436 1.016 . . . . 0.0 109.945 -177.502 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.145 1.528 . . . . 0.0 111.911 -177.51 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.66 18.92 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.478 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.99 19.45 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.282 -2.235 . . . . 0.0 110.764 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.58 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.34 2.876 . . . . 0.0 117.481 -179.534 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.711 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.534 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.39 37.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.011 -175.909 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 139.99 36.79 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 125.052 1.47 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.19 29.54 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.681 3.585 . . . . 0.0 120.681 -175.835 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.86 85.23 Favored Glycine 0 CA--C 1.492 -1.403 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.349 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.996 -1.885 . . . . 0.0 107.987 176.488 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.145 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.29 -36.21 79.44 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.16 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.16 -179.466 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.55 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.487 1.137 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.7 51.44 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.994 179.3 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.29 18.34 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 121.556 1.98 . . . . 0.0 111.169 179.822 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.062 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.838 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 126.059 2.1 . . . . 0.0 109.485 -176.816 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 15.9 ptmt -54.71 143.03 26.45 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.183 1.468 . . . . 0.0 109.239 -176.93 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.1 10.63 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.453 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.829 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.998 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.721 -2.562 . . . . 0.0 105.714 175.005 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.946 . . . . 0.0 105.921 177.913 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.839 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.493 176.644 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.107 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.136 0.493 . . . . 0.0 109.856 178.464 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.449 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.06 37.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -135.45 107.38 7.09 Favored 'General case' 0 C--O 1.272 2.274 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.487 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -75.75 124.75 27.79 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 125.768 1.917 . . . . 0.0 109.852 -179.922 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -62.36 -44.61 96.07 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.755 -1.566 . . . . 0.0 108.814 -179.151 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.0 -149.69 51.45 Favored Glycine 0 C--O 1.243 0.687 0 CA-C-N 114.684 -1.144 . . . . 0.0 115.077 -179.374 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.408 0 CA-C-O 116.371 -2.349 . . . . 0.0 108.386 179.113 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 127.011 2.694 . . . . 0.0 108.914 178.336 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.396 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.45 4.843 . . . . 0.0 108.755 179.591 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.525 175.784 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.2 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.381 4.176 . . . . 0.0 108.058 -178.161 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.92 49.46 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.055 0.847 . . . . 0.0 112.59 -177.939 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.805 -2.358 . . . . 0.0 111.956 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.51 80.33 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.183 -1.573 . . . . 0.0 116.149 179.771 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.04 34.49 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 175.021 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.74 55.34 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.595 2.434 . . . . 0.0 106.034 176.117 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.42 141.98 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.611 3.069 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.207 -1.797 . . . . 0.0 108.239 178.123 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.02 44.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.419 -179.184 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.24 44.5 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.172 4.045 . . . . 0.0 103.549 174.015 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.145 0 O-C-N 127.712 3.132 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.7 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.146 -2.297 . . . . 0.0 106.335 174.709 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.552 2.168 . . . . 0.0 111.961 177.725 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.903 -177.524 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.814 -179.032 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.41 21.21 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.708 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 O-C-N 127.198 2.811 . . . . 0.0 110.385 175.738 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.46 79.0 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.367 -0.833 . . . . 0.0 110.727 177.012 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.01 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.303 1.041 . . . . 0.0 111.564 -179.671 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.094 1.496 . . . . 0.0 109.34 178.493 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.99 83.9 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.766 -179.8 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 117.989 0.359 . . . . 0.0 111.231 176.883 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.362 -1.461 . . . . 0.0 110.801 176.017 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.52 77.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.47 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.522 2.582 . . . . 0.0 109.022 179.439 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.64 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.748 179.163 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.43 17.91 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -175.667 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.51 -6.4 8.13 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 123.147 2.703 . . . . 0.0 113.936 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.326 0 N-CA-C 118.899 2.319 . . . . 0.0 118.899 176.554 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.88 83.25 Favored Pre-proline 0 C--O 1.242 0.704 0 C-N-CA 118.83 -1.148 . . . . 0.0 111.013 179.693 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.6 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.128 2.552 . . . . 0.0 110.952 178.153 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.261 1.67 0 C-N-CA 120.707 0.938 . . . . 0.0 113.392 -179.349 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.61 63.65 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 120.002 -1.686 . . . . 0.0 112.179 -177.387 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.78 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.463 -1.398 . . . . 0.0 112.058 178.669 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.78 34.77 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.323 2.011 . . . . 0.0 115.625 -177.651 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.92 23.88 Favored 'General case' 0 C--O 1.296 3.523 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 172.103 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.29 51.03 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.479 1.036 . . . . 0.0 110.016 -177.566 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 125.159 1.537 . . . . 0.0 111.927 -177.503 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.69 18.99 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.504 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.94 19.45 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.757 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 128.43 2.919 . . . . 0.0 117.459 -179.506 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 177.673 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.576 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.003 -175.898 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.94 36.81 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.077 1.486 . . . . 0.0 109.952 -177.739 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.22 29.61 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.833 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.491 -1.434 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 -177.357 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.987 -1.89 . . . . 0.0 107.979 176.516 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.145 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.175 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.6 70.78 Favored 'General case' 0 C--O 1.268 2.073 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.182 -179.484 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.489 1.138 . . . . 0.0 110.736 179.729 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 117.65 -1.167 . . . . 0.0 112.953 179.325 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.42 18.51 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 121.555 1.979 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.173 175.819 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.521 -176.859 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.78 143.05 26.69 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.199 1.476 . . . . 0.0 109.301 -176.946 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.16 10.65 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 179.483 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.51 34.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.832 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.983 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.666 -2.587 . . . . 0.0 105.714 175.054 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.7 46.5 Favored 'General case' 0 C--N 1.285 -2.231 0 O-C-N 127.455 2.972 . . . . 0.0 105.902 177.916 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.772 0 CA-C-O 117.617 -1.182 . . . . 0.0 111.549 176.564 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.94 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.16 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.119 0.485 . . . . 0.0 109.875 178.435 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 73' ' ' LEU . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -75.46 17.14 0.29 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.476 -179.292 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 70.53 -82.51 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.917 0 O-C-N 125.812 1.945 . . . . 0.0 109.826 179.404 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -167.86 150.85 5.84 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.859 -179.443 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.07 155.85 26.38 Favored Glycine 0 C--O 1.243 0.677 0 CA-C-N 114.629 -1.169 . . . . 0.0 115.091 -179.433 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 CA-C-O 116.432 -2.315 . . . . 0.0 108.376 179.276 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.978 2.674 . . . . 0.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.393 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.645 1 O-C-N 130.475 4.859 . . . . 0.0 108.761 179.583 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.389 -3.195 . . . . 0.0 105.506 175.814 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.49 41.19 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.372 4.17 . . . . 0.0 108.059 -178.167 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.76 8.37 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.87 49.23 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.054 0.846 . . . . 0.0 112.555 -177.937 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.03 30.13 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.774 -2.371 . . . . 0.0 111.968 179.972 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.39 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.109 -1.619 . . . . 0.0 116.092 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.959 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.76 55.35 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.611 2.445 . . . . 0.0 105.99 176.179 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.98 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 127.64 3.088 . . . . 0.0 109.033 179.651 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.25 178.147 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.03 44.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.333 -2.27 . . . . 0.0 108.463 -179.19 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.43 Favored 'General case' 0 N--CA 1.499 1.986 1 O-C-N 129.182 4.051 . . . . 0.0 103.567 173.973 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.206 0 O-C-N 127.691 3.119 . . . . 0.0 111.214 -177.883 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.46 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.335 174.673 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.4 39.19 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.564 2.176 . . . . 0.0 111.957 177.727 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.16 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.88 -177.496 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.52 47.5 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.836 -179.032 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.4 21.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.726 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.217 2.823 . . . . 0.0 110.327 175.805 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.428 -0.795 . . . . 0.0 110.769 176.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.47 86.76 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.292 1.037 . . . . 0.0 111.543 -179.633 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.42 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.1 1.5 . . . . 0.0 109.375 178.459 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -38.0 83.88 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.646 0 CA-C-N 118.01 0.368 . . . . 0.0 111.211 176.856 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 120.339 -1.476 . . . . 0.0 110.838 176.016 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.47 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.887 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.36 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.5 2.571 . . . . 0.0 109.036 179.439 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.75 179.114 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.31 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.667 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.102 2.683 . . . . 0.0 113.96 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.33 90.13 Favored Glycine 0 CA--C 1.478 -2.242 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.542 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.85 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.162 2.575 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.19 92.62 Favored 'Trans proline' 0 C--O 1.261 1.675 0 C-N-CA 120.678 0.918 . . . . 0.0 113.397 -179.326 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 120.007 -1.683 . . . . 0.0 112.188 -177.435 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.44 29.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.494 -1.379 . . . . 0.0 112.035 178.706 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 124.332 2.015 . . . . 0.0 115.627 -177.646 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.512 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 172.079 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.31 50.99 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.454 1.024 . . . . 0.0 109.989 -177.57 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 O-C-N 125.144 1.528 . . . . 0.0 111.881 -177.509 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 177.538 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.95 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.313 -2.221 . . . . 0.0 110.752 177.369 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.54 61.05 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.413 2.911 . . . . 0.0 117.504 -179.5 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.702 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.79 130.3 34.59 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.571 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.693 -1.146 . . . . 0.0 110.026 -175.925 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 125.084 1.49 . . . . 0.0 109.931 -177.746 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.4 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 120.729 3.603 . . . . 0.0 120.729 -175.817 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.88 85.23 Favored Glycine 0 CA--C 1.492 -1.401 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.307 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.994 -1.886 . . . . 0.0 107.984 176.532 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.076 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.23 79.42 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.181 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.005 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.154 -179.494 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.26 70.51 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.457 1.123 . . . . 0.0 110.703 179.772 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.72 51.4 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.025 179.293 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.54 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.525 1.966 . . . . 0.0 111.179 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.114 -2.374 . . . . 0.0 106.198 175.833 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 126.082 2.113 . . . . 0.0 109.532 -176.809 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 143.08 26.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.183 1.468 . . . . 0.0 109.28 -176.96 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.19 10.66 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 179.473 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.843 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.69 52.1 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.008 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.715 175.047 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.42 Favored 'General case' 0 C--N 1.285 -2.205 0 O-C-N 127.471 2.982 . . . . 0.0 105.885 177.931 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.494 176.602 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.08 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 175.127 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.178 0.513 . . . . 0.0 109.815 178.456 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.456 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.579 ' O ' ' H81' ' A' ' 102' ' ' MTN . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -139.47 176.8 8.41 Favored 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.515 179.506 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -165.2 158.53 16.58 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.807 1.942 . . . . 0.0 109.84 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -167.93 146.99 4.71 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 113.839 -1.528 . . . . 0.0 108.854 -179.467 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -51.73 48.87 Favored Glycine 0 C--O 1.244 0.732 0 CA-C-N 114.598 -1.183 . . . . 0.0 115.063 -179.773 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.474 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.351 179.134 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 126.943 2.652 . . . . 0.0 108.909 178.302 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.0 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.667 173.365 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.654 1 O-C-N 130.461 4.85 . . . . 0.0 108.746 179.565 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 175.797 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.23 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.399 4.187 . . . . 0.0 108.068 -178.184 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.74 8.4 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.98 49.75 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.063 0.852 . . . . 0.0 112.585 -177.962 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 115.794 -2.362 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.48 80.36 Favored Glycine 0 C--N 1.298 -1.571 0 O-C-N 120.135 -1.603 . . . . 0.0 116.126 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.05 34.43 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 174.979 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.584 2.427 . . . . 0.0 106.031 176.158 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.568 3.043 . . . . 0.0 109.04 179.649 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.224 -1.79 . . . . 0.0 108.234 178.116 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 153.98 44.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.465 -179.182 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.41 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.241 4.088 . . . . 0.0 103.55 174.025 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.672 3.108 . . . . 0.0 111.231 -177.876 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.65 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.345 174.688 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.48 39.58 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 C-N-CA 122.6 2.2 . . . . 0.0 111.949 177.703 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.07 59.09 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.889 -177.481 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.15 148.53 47.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 117.387 -1.725 . . . . 0.0 109.89 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.45 21.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.717 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 127.174 2.796 . . . . 0.0 110.428 175.708 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.05 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.419 -0.801 . . . . 0.0 110.741 176.98 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.15 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.306 1.043 . . . . 0.0 111.562 -179.627 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.42 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.094 1.496 . . . . 0.0 109.331 178.478 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.75 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.975 0.352 . . . . 0.0 111.226 176.871 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.378 -1.451 . . . . 0.0 110.799 176.033 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.46 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.922 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.62 79.21 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 125.543 2.592 . . . . 0.0 108.994 179.514 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.71 66.46 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.763 179.149 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.4 17.93 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.014 2.228 . . . . 0.0 117.014 -175.677 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.44 8.1 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.064 2.665 . . . . 0.0 113.974 179.834 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.35 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.921 2.328 . . . . 0.0 118.921 176.542 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.814 -1.154 . . . . 0.0 111.032 179.692 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.33 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.148 2.565 . . . . 0.0 110.942 178.179 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.15 92.6 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.862 0.927 . . . . 0.0 113.439 -179.362 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.974 -1.704 . . . . 0.0 112.213 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.511 -1.368 . . . . 0.0 112.02 178.743 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.288 1.994 . . . . 0.0 115.616 -177.632 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.9 23.88 Favored 'General case' 0 C--O 1.296 3.526 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.097 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.481 1.037 . . . . 0.0 109.966 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.138 1.524 . . . . 0.0 111.914 -177.496 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.66 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 177.513 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.02 19.55 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.793 177.412 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.93 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.343 2.877 . . . . 0.0 117.522 -179.51 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.705 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.2 34.62 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.46 138.37 37.56 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.011 -175.891 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.01 36.76 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.112 1.508 . . . . 0.0 109.951 -177.731 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.23 29.83 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.808 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.83 85.32 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 116.108 1.203 . . . . 0.0 116.108 -177.32 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.056 -1.849 . . . . 0.0 107.983 176.522 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.55 11.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.125 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.27 79.33 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.135 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.56 70.74 Favored 'General case' 0 C--O 1.267 2.008 0 C-N-CA 117.311 -1.755 . . . . 0.0 112.161 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.32 70.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.454 1.121 . . . . 0.0 110.733 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.636 -1.173 . . . . 0.0 112.927 179.321 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.4 18.35 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 121.607 2.003 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.41 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.142 175.825 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.075 2.109 . . . . 0.0 109.522 -176.876 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.67 143.06 26.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.273 1.511 . . . . 0.0 109.206 -176.867 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.84 19.23 10.69 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.748 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.13 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.974 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.701 174.999 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.57 135.78 46.35 Favored 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.411 2.945 . . . . 0.0 105.863 177.926 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.82 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.493 176.574 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.99 28.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 175.095 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.202 0.525 . . . . 0.0 109.836 178.47 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . 0.557 ' H72' ' S1 ' ' A' ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.579 ' H81' ' O ' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.3 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.635 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.73 37.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.635 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . 153.83 -158.17 0.0 OUTLIER 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.495 173.33 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 80.16 108.7 0.07 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 125.821 1.951 . . . . 0.0 109.833 179.043 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 54.12 -171.55 0.05 OUTLIER 'General case' 0 C--O 1.245 0.838 0 CA-C-N 113.796 -1.547 . . . . 0.0 108.857 -179.443 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 92.73 9.68 60.98 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.675 -1.148 . . . . 0.0 115.111 -179.473 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.367 179.23 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 127.006 2.691 . . . . 0.0 108.908 178.286 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.359 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.441 4.838 . . . . 0.0 108.82 179.541 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.17 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.489 175.874 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.49 41.17 Favored 'General case' 0 N--CA 1.504 2.259 1 O-C-N 129.403 4.189 . . . . 0.0 108.086 -178.191 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.76 8.37 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.95 49.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.064 0.853 . . . . 0.0 112.626 -177.982 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.859 -2.336 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.47 80.3 Favored Glycine 0 C--N 1.297 -1.599 0 O-C-N 120.163 -1.586 . . . . 0.0 116.109 179.75 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.03 34.46 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.94 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.605 2.441 . . . . 0.0 106.046 176.116 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 127.636 3.085 . . . . 0.0 109.014 179.708 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.236 178.098 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.447 -179.208 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.218 4.074 . . . . 0.0 103.572 174.003 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 O-C-N 127.701 3.125 . . . . 0.0 111.199 -177.854 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.202 -2.272 . . . . 0.0 106.289 174.728 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.531 2.154 . . . . 0.0 111.932 177.702 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.1 59.15 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.889 -177.455 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.51 47.53 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.332 -1.747 . . . . 0.0 109.887 -179.079 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.44 21.21 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 175.717 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.192 2.807 . . . . 0.0 110.37 175.746 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.382 -0.824 . . . . 0.0 110.749 176.984 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.87 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.286 1.035 . . . . 0.0 111.574 -179.668 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.037 1.46 . . . . 0.0 109.308 178.479 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.92 83.75 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.95 86.87 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.997 0.362 . . . . 0.0 111.187 176.883 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.23 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.412 -1.43 . . . . 0.0 110.773 176.029 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.53 77.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.951 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.58 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.481 2.562 . . . . 0.0 109.039 179.458 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.74 66.63 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.777 179.091 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.651 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -175.635 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 123.139 2.7 . . . . 0.0 113.965 179.811 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.501 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.81 83.4 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.802 -1.159 . . . . 0.0 111.033 179.675 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.183 2.589 . . . . 0.0 110.916 178.2 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.09 92.67 Favored 'Trans proline' 0 C--O 1.261 1.674 0 O-C-N 122.907 0.951 . . . . 0.0 113.438 -179.34 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 119.96 -1.713 . . . . 0.0 112.22 -177.485 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.45 28.86 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.553 -1.342 . . . . 0.0 112.04 178.715 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.293 1.996 . . . . 0.0 115.668 -177.667 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.97 23.98 Favored 'General case' 0 C--O 1.295 3.484 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.122 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 119.41 1.004 . . . . 0.0 109.991 -177.545 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.133 1.521 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.567 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.753 177.355 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.52 60.95 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 128.399 2.904 . . . . 0.0 117.526 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.7 46.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.698 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.26 1.605 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.587 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.016 -175.858 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.92 140.01 36.78 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.745 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.23 29.23 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.803 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.92 85.17 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.148 1.219 . . . . 0.0 116.148 -177.379 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.58 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.979 -1.895 . . . . 0.0 108.015 176.513 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.131 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.103 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.053 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.145 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.54 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.503 1.144 . . . . 0.0 110.76 179.73 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.67 51.46 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 112.967 179.309 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.55 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 121.521 1.964 . . . . 0.0 111.187 179.857 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.37 30.22 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-O 115.089 -2.386 . . . . 0.0 106.192 175.851 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.35 169.53 8.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.152 2.157 . . . . 0.0 109.528 -176.844 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 22.6 pttp -54.79 143.08 26.62 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.184 1.469 . . . . 0.0 109.285 -176.938 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.16 10.66 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.813 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.72 52.2 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.669 175.989 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.61 19.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.659 -2.591 . . . . 0.0 105.711 175.027 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.462 2.976 . . . . 0.0 105.904 177.924 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.507 176.573 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.132 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.164 0.507 . . . . 0.0 109.836 178.421 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.595 ' SG ' ' H2 ' ' A' ' 102' ' ' MTN . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -147.27 162.75 38.3 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 113.356 -3.211 . . . . 0.0 105.492 179.436 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ARG . . . -157.61 -167.58 2.31 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.858 1.974 . . . . 0.0 109.838 -179.646 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -147.74 159.55 43.68 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 113.78 -1.555 . . . . 0.0 108.832 -179.321 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.95 166.97 12.68 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.667 -1.151 . . . . 0.0 115.058 -179.434 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.414 -2.326 . . . . 0.0 108.409 179.194 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.993 2.683 . . . . 0.0 108.894 178.346 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 173.396 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.652 1 O-C-N 130.444 4.84 . . . . 0.0 108.777 179.569 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.51 175.824 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.396 4.185 . . . . 0.0 108.01 -178.156 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.72 8.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.64 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.026 0.829 . . . . 0.0 112.62 -177.954 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.814 -2.354 . . . . 0.0 111.989 179.952 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.53 80.36 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.09 -1.631 . . . . 0.0 116.122 179.761 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.02 34.49 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.997 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.612 2.445 . . . . 0.0 106.037 176.144 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.613 3.07 . . . . 0.0 109.036 179.671 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.79 36.63 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.217 -1.793 . . . . 0.0 108.241 178.136 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.31 -2.281 . . . . 0.0 108.481 -179.164 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.219 4.075 . . . . 0.0 103.573 173.999 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.153 0 O-C-N 127.736 3.147 . . . . 0.0 111.231 -177.929 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.49 37.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.314 174.707 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.5 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 122.52 2.147 . . . . 0.0 111.936 177.746 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.16 59.12 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.899 -177.523 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.6 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 117.389 -1.724 . . . . 0.0 109.852 -179.032 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.722 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.28 -37.27 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.226 2.829 . . . . 0.0 110.424 175.735 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.42 79.21 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.321 -0.862 . . . . 0.0 110.756 176.983 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.5 87.04 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.281 1.032 . . . . 0.0 111.52 -179.661 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.43 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.044 1.465 . . . . 0.0 109.309 178.511 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.98 83.72 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.13 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.028 0.376 . . . . 0.0 111.213 176.875 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.472 -1.392 . . . . 0.0 110.816 175.999 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.51 77.64 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.932 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.59 79.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.484 2.564 . . . . 0.0 108.992 179.489 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.76 66.37 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.711 -1.586 . . . . 0.0 111.772 179.102 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.46 17.93 Favored 'General case' 0 C--O 1.28 2.676 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.666 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.39 8.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 123.081 2.673 . . . . 0.0 113.939 179.801 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.31 90.14 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.518 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.41 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.029 179.683 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.99 80.01 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.164 2.576 . . . . 0.0 110.96 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.14 92.78 Favored 'Trans proline' 0 C--O 1.262 1.703 0 O-C-N 122.865 0.929 . . . . 0.0 113.439 -179.334 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.915 -1.741 . . . . 0.0 112.219 -177.43 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.474 -1.391 . . . . 0.0 112.039 178.671 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.344 2.021 . . . . 0.0 115.626 -177.676 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.96 23.96 Favored 'General case' 0 C--O 1.296 3.52 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.113 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.24 51.02 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.471 1.032 . . . . 0.0 109.931 -177.495 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 125.168 1.543 . . . . 0.0 111.892 -177.518 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 177.554 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.79 177.388 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.61 61.17 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 128.365 2.888 . . . . 0.0 117.488 -179.525 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.677 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.23 34.61 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 174.562 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.041 -175.868 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 125.029 1.456 . . . . 0.0 109.938 -177.691 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.27 29.57 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.819 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.85 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.119 1.207 . . . . 0.0 116.119 -177.353 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.53 17.08 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.053 -1.851 . . . . 0.0 107.993 176.48 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.15 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 117.344 -1.742 . . . . 0.0 112.176 -179.482 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.29 70.52 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.475 1.131 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.68 51.47 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.01 179.226 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.38 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 121.55 1.977 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.208 175.79 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.034 2.084 . . . . 0.0 109.528 -176.846 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -54.78 143.05 26.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.195 1.474 . . . . 0.0 109.268 -176.889 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.45 34.68 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.838 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.12 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.938 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.72 175.034 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.8 46.39 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 127.422 2.951 . . . . 0.0 105.888 177.927 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.516 176.609 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.155 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.496 . . . . 0.0 109.842 178.421 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.595 ' H2 ' ' SG ' ' A' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.14 34.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . 171.68 -179.72 0.06 Allowed 'General case' 0 C--O 1.272 2.254 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.502 -179.573 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 73.47 93.92 0.08 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.813 1.946 . . . . 0.0 109.849 -179.902 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -152.29 -172.49 4.25 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.865 -179.438 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -22.63 145.27 0.01 OUTLIER Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.663 -1.153 . . . . 0.0 115.088 -179.364 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' B' ' 63' ' ' LYS . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.353 -2.359 . . . . 0.0 108.368 179.105 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.922 2.639 . . . . 0.0 108.946 178.268 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.673 173.404 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.642 1 O-C-N 130.473 4.858 . . . . 0.0 108.82 179.586 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.496 175.834 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.25 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.39 4.181 . . . . 0.0 108.029 -178.166 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.832 -1.08 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.53 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.054 0.846 . . . . 0.0 112.607 -177.969 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.001 179.95 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.51 80.28 Favored Glycine 0 C--N 1.298 -1.545 0 O-C-N 120.08 -1.637 . . . . 0.0 116.169 179.756 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.984 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.623 2.452 . . . . 0.0 105.989 176.185 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.02 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.607 3.067 . . . . 0.0 109.059 179.647 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.8 36.62 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 117.275 -1.77 . . . . 0.0 108.196 178.128 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.0 44.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.475 -179.225 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.156 4.035 . . . . 0.0 103.565 174.037 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.64 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.747 3.155 . . . . 0.0 111.193 -177.888 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.61 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.099 -2.319 . . . . 0.0 106.345 174.664 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.29 Favored 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 122.584 2.19 . . . . 0.0 111.934 177.699 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.913 -177.522 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.48 47.57 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.319 -1.752 . . . . 0.0 109.88 -179.049 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.4 21.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.69 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.164 2.79 . . . . 0.0 110.358 175.8 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.46 79.12 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.343 -0.848 . . . . 0.0 110.756 177.008 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.12 Favored 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.274 1.03 . . . . 0.0 111.501 -179.653 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 125.1 1.5 . . . . 0.0 109.333 178.501 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.98 83.94 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.797 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.07 87.28 Favored 'General case' 0 C--O 1.279 2.62 0 CA-C-N 117.973 0.352 . . . . 0.0 111.243 176.884 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.01 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 120.416 -1.427 . . . . 0.0 110.756 176.006 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.43 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.211 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.61 79.24 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.552 2.596 . . . . 0.0 109.028 179.456 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.74 66.39 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.734 179.124 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.36 17.95 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.645 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.097 2.68 . . . . 0.0 113.96 179.802 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 118.892 2.317 . . . . 0.0 118.892 176.513 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.006 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.127 2.551 . . . . 0.0 110.921 178.194 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.63 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.886 0.94 . . . . 0.0 113.44 -179.35 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.922 -1.736 . . . . 0.0 112.226 -177.471 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.5 28.88 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.515 -1.366 . . . . 0.0 112.07 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.287 1.994 . . . . 0.0 115.664 -177.656 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.03 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 172.092 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.21 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.427 1.012 . . . . 0.0 110.016 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.165 1.54 . . . . 0.0 111.925 -177.46 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.03 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.496 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.04 19.22 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.778 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.66 60.96 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.311 2.863 . . . . 0.0 117.517 -179.511 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.35 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.701 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 174.513 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.45 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.019 -175.857 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.035 1.459 . . . . 0.0 109.977 -177.724 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.82 Favored 'General case' 0 C--O 1.266 1.935 0 N-CA-C 120.7 3.592 . . . . 0.0 120.7 -175.799 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.84 85.31 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.61 16.96 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.035 -1.862 . . . . 0.0 108.009 176.506 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.58 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.128 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.21 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.269 2.082 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.143 -179.481 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.26 70.66 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.498 1.142 . . . . 0.0 110.732 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.64 51.56 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.992 179.255 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.36 18.27 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.589 1.995 . . . . 0.0 111.211 179.882 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.164 175.815 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.037 2.086 . . . . 0.0 109.51 -176.81 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 76' ' ' GLY . 20.2 ttpp -54.77 143.07 26.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 123.182 1.468 . . . . 0.0 109.283 -176.936 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 179.462 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.794 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.15 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.0 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.63 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.72 -2.562 . . . . 0.0 105.707 175.006 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.83 46.27 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.44 2.962 . . . . 0.0 105.909 177.92 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.541 176.574 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.128 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.209 0.528 . . . . 0.0 109.827 178.455 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.513 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.98 40.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.69 -64.82 1.09 Allowed 'General case' 0 C--O 1.272 2.246 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.461 179.525 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 69.5 90.39 0.1 Allowed 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.872 1.982 . . . . 0.0 109.85 -179.854 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -141.2 156.7 45.88 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.835 -179.41 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -88.67 -157.83 33.05 Favored Glycine 0 C--O 1.243 0.713 0 CA-C-N 114.68 -1.146 . . . . 0.0 115.089 -179.399 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.477 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.345 179.273 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 126.979 2.674 . . . . 0.0 108.906 178.32 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.04 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.28 0 N-CA-C 105.628 -1.989 . . . . 0.0 105.628 173.384 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.19 49.47 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.467 4.854 . . . . 0.0 108.786 179.57 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.17 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.492 175.858 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.22 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.424 4.203 . . . . 0.0 108.055 -178.165 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.95 49.6 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 124.097 0.873 . . . . 0.0 112.588 -177.926 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.825 -2.35 . . . . 0.0 111.981 179.962 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.5 80.3 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.089 -1.632 . . . . 0.0 116.14 179.755 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.983 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.585 2.428 . . . . 0.0 106.048 176.187 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.05 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.567 3.042 . . . . 0.0 109.085 179.692 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.81 36.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.269 178.139 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.01 44.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.428 -179.159 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.24 44.51 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.225 4.078 . . . . 0.0 103.578 173.972 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.719 3.137 . . . . 0.0 111.182 -177.87 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.355 174.663 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.38 39.2 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 C-N-CA 122.564 2.176 . . . . 0.0 111.921 177.699 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.96 -8.14 59.17 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.852 -177.44 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.47 47.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.89 -179.065 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.4 21.29 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 O-C-N 127.136 2.772 . . . . 0.0 110.373 175.751 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.4 79.29 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.378 -0.826 . . . . 0.0 110.727 176.96 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.51 86.64 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 124.367 1.067 . . . . 0.0 111.509 -179.652 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.42 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.119 1.512 . . . . 0.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.93 83.59 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.733 -179.739 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.02 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.984 0.356 . . . . 0.0 111.243 176.888 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.395 -1.441 . . . . 0.0 110.819 175.984 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.913 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.64 79.17 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 125.503 2.573 . . . . 0.0 108.994 179.511 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.69 66.48 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.776 179.103 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -175.65 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 123.133 2.697 . . . . 0.0 113.949 179.828 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.35 90.13 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.879 2.312 . . . . 0.0 118.879 176.51 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.83 83.31 Favored Pre-proline 0 C--O 1.243 0.726 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.988 179.726 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.94 79.5 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.187 2.592 . . . . 0.0 110.902 178.189 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.19 92.86 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 122.841 0.916 . . . . 0.0 113.465 -179.376 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 119.93 -1.731 . . . . 0.0 112.213 -177.465 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.43 28.9 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.527 -1.358 . . . . 0.0 112.08 178.686 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 124.286 1.993 . . . . 0.0 115.636 -177.64 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.91 23.89 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.3 50.99 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.464 1.029 . . . . 0.0 109.994 -177.572 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.181 1.55 . . . . 0.0 111.871 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.69 18.99 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 177.457 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.29 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.768 177.38 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.62 61.01 Favored Glycine 0 N--CA 1.433 -1.528 0 C-N-CA 128.339 2.876 . . . . 0.0 117.52 -179.448 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.71 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.3 34.59 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.608 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.078 -175.956 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.74 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.031 1.457 . . . . 0.0 109.945 -177.691 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.3 29.13 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.725 3.602 . . . . 0.0 120.725 -175.823 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.81 -8.89 85.28 Favored Glycine 0 CA--C 1.491 -1.412 0 N-CA-C 116.099 1.199 . . . . 0.0 116.099 -177.315 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.55 17.02 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 120.007 -1.878 . . . . 0.0 107.991 176.547 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.083 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.27 79.36 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.174 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.316 -1.753 . . . . 0.0 112.164 -179.486 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.67 -39.24 70.66 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.478 1.132 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.004 179.269 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.37 18.48 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 121.566 1.984 . . . . 0.0 111.208 179.901 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.39 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.045 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.182 175.827 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.122 2.139 . . . . 0.0 109.489 -176.821 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.8 143.06 26.74 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 123.215 1.483 . . . . 0.0 109.287 -176.917 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.494 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.788 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.67 52.11 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.969 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.677 -2.582 . . . . 0.0 105.715 175.027 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.75 46.42 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.445 2.966 . . . . 0.0 105.88 177.909 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.87 30.94 Favored 'General case' 0 C--O 1.281 2.761 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.494 176.586 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.88 28.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.142 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.213 0.53 . . . . 0.0 109.824 178.466 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.486 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.484 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.04 39.58 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 166.22 -168.28 0.01 OUTLIER 'General case' 0 C--O 1.273 2.291 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.527 -177.126 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 77.54 36.84 0.26 Allowed 'General case' 0 C--N 1.292 -1.903 0 O-C-N 125.823 1.952 . . . . 0.0 109.867 179.839 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -156.55 130.69 8.55 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-N 113.8 -1.545 . . . . 0.0 108.8 -179.43 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.31 175.47 43.6 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 114.644 -1.162 . . . . 0.0 115.044 -179.569 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 CA-C-O 116.347 -2.363 . . . . 0.0 108.395 179.182 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 126.972 2.67 . . . . 0.0 108.952 178.32 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.413 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.461 4.851 . . . . 0.0 108.77 179.593 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.51 41.29 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.405 4.19 . . . . 0.0 108.045 -178.177 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.92 49.39 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.001 0.813 . . . . 0.0 112.606 -177.945 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.96 30.34 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.787 -2.365 . . . . 0.0 111.958 179.981 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.5 80.36 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.123 -1.611 . . . . 0.0 116.101 179.725 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.03 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 174.994 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.78 55.37 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.613 2.445 . . . . 0.0 106.032 176.134 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.603 3.064 . . . . 0.0 109.014 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.221 178.091 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.14 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.391 -179.18 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.0 1 O-C-N 129.211 4.07 . . . . 0.0 103.596 173.978 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 O-C-N 127.717 3.136 . . . . 0.0 111.222 -177.912 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.297 174.702 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.51 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 122.562 2.175 . . . . 0.0 111.947 177.699 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.09 59.09 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.867 -177.509 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.45 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.43 21.28 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.708 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.32 -37.25 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.167 2.792 . . . . 0.0 110.354 175.765 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.348 -0.845 . . . . 0.0 110.722 176.98 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.367 1.067 . . . . 0.0 111.518 -179.636 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.043 1.465 . . . . 0.0 109.279 178.534 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.94 83.7 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.761 -179.773 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.08 87.19 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 118.014 0.37 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.401 0 O-C-N 120.375 -1.453 . . . . 0.0 110.792 175.988 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.47 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.62 79.26 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.548 2.594 . . . . 0.0 109.006 179.493 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.71 66.52 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.73 179.201 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.43 17.94 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.676 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.151 2.705 . . . . 0.0 113.911 179.858 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.856 2.302 . . . . 0.0 118.856 176.535 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.89 83.21 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.007 179.718 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.87 79.23 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.116 2.544 . . . . 0.0 110.937 178.208 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.25 92.8 Favored 'Trans proline' 0 C--O 1.261 1.667 0 O-C-N 122.868 0.931 . . . . 0.0 113.452 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.93 -1.731 . . . . 0.0 112.182 -177.43 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.49 28.9 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.518 -1.364 . . . . 0.0 112.022 178.714 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.341 2.02 . . . . 0.0 115.627 -177.662 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.93 23.95 Favored 'General case' 0 C--O 1.295 3.472 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.135 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.451 1.023 . . . . 0.0 109.991 -177.605 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.139 1.524 . . . . 0.0 111.888 -177.491 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.69 18.95 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.496 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.0 19.5 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.185 -2.279 . . . . 0.0 110.764 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.371 2.891 . . . . 0.0 117.513 -179.464 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.652 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.57 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.555 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.032 -175.904 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.11 1.506 . . . . 0.0 109.957 -177.708 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.59 Favored 'General case' 0 C--O 1.265 1.909 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.841 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.96 85.14 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 116.133 1.213 . . . . 0.0 116.133 -177.367 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.52 17.11 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 119.994 -1.886 . . . . 0.0 107.944 176.504 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.65 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 177.128 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.18 79.26 Favored 'General case' 0 C--O 1.202 -1.433 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.182 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.67 70.82 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.157 -179.489 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.31 70.46 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.43 1.109 . . . . 0.0 110.71 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.67 51.48 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 117.637 -1.173 . . . . 0.0 112.978 179.282 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.33 18.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.574 1.988 . . . . 0.0 111.223 179.867 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.39 30.25 Favored 'Isoleucine or valine' 0 C--O 1.268 2.07 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.136 175.88 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.063 2.102 . . . . 0.0 109.552 -176.901 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.446 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 9.0 ptmm? -54.69 143.05 26.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.244 1.497 . . . . 0.0 109.279 -176.913 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.469 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.53 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.766 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.919 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.76 -2.543 . . . . 0.0 105.694 174.988 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.397 2.936 . . . . 0.0 105.913 177.909 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.99 115.74 30.72 Favored 'General case' 0 C--O 1.283 2.834 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.555 176.568 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 175.142 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.214 0.531 . . . . 0.0 109.806 178.422 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 102' ' ' MTN . . . . . 0.484 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.02 35.74 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.488 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.995 2.684 . . . . 0.0 108.923 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.681 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.42 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.523 4.889 . . . . 0.0 108.807 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.466 -3.159 . . . . 0.0 105.484 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.24 Favored 'General case' 0 N--CA 1.504 2.247 1 O-C-N 129.335 4.147 . . . . 0.0 108.085 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.775 -1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.106 0.879 . . . . 0.0 112.57 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.048 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.46 80.36 Favored Glycine 0 C--N 1.298 -1.532 0 O-C-N 120.068 -1.645 . . . . 0.0 116.115 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.634 2.459 . . . . 0.0 106.052 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.648 3.092 . . . . 0.0 109.033 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.7 36.77 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.219 -1.792 . . . . 0.0 108.208 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.03 44.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.427 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.235 4.084 . . . . 0.0 103.558 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.688 3.118 . . . . 0.0 111.237 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.4 38.93 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 122.549 2.166 . . . . 0.0 111.973 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.18 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.934 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.354 -1.738 . . . . 0.0 109.911 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.45 21.2 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.33 -37.21 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.218 2.824 . . . . 0.0 110.344 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.4 79.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.54 86.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 124.325 1.05 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.25 -46.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.077 1.486 . . . . 0.0 109.305 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.98 83.85 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.763 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.03 87.17 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 117.985 0.357 . . . . 0.0 111.214 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 120.388 -1.445 . . . . 0.0 110.785 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.63 79.11 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.495 2.569 . . . . 0.0 109.016 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.71 66.36 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.661 -1.609 . . . . 0.0 111.772 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.49 17.93 Favored 'General case' 0 C--O 1.279 2.631 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 123.108 2.685 . . . . 0.0 113.978 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.288 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.38 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.853 -1.139 . . . . 0.0 111.007 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.73 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.14 2.56 . . . . 0.0 110.939 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.66 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.858 0.925 . . . . 0.0 113.407 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.51 28.87 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.453 -1.404 . . . . 0.0 112.079 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 124.292 1.996 . . . . 0.0 115.606 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.99 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.422 1.01 . . . . 0.0 109.936 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.098 1.499 . . . . 0.0 111.906 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.67 18.9 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.766 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.57 60.92 Favored Glycine 0 N--CA 1.433 -1.556 0 C-N-CA 128.386 2.898 . . . . 0.0 117.514 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.37 37.43 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.688 -1.149 . . . . 0.0 110.048 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.04 36.68 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.117 1.51 . . . . 0.0 109.953 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.14 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.94 85.15 Favored Glycine 0 CA--C 1.493 -1.337 0 N-CA-C 116.093 1.197 . . . . 0.0 116.093 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.51 17.12 Favored 'General case' 0 C--O 1.251 1.136 0 O-C-N 120.051 -1.853 . . . . 0.0 108.001 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.25 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.362 -1.735 . . . . 0.0 112.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.3 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.469 1.128 . . . . 0.0 110.721 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.77 51.27 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.27 18.6 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.538 1.972 . . . . 0.0 111.208 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.38 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.057 0 CA-C-O 115.154 -2.355 . . . . 0.0 106.209 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.044 2.09 . . . . 0.0 109.521 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' B' ' 63' ' ' LYS . 13.4 ptmm? -54.72 143.04 26.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.18 1.467 . . . . 0.0 109.245 -176.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.15 10.64 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.28 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.64 19.12 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.46 Favored 'General case' 0 C--N 1.285 -2.203 0 O-C-N 127.456 2.973 . . . . 0.0 105.882 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.854 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.53 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.212 0.53 . . . . 0.0 109.807 178.463 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.11 36.94 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.214 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.505 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.941 2.651 . . . . 0.0 108.883 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.47 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 130.445 4.84 . . . . 0.0 108.74 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.472 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.242 1 O-C-N 129.366 4.166 . . . . 0.0 108.098 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.96 49.67 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.006 0.816 . . . . 0.0 112.608 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.18 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.819 -2.352 . . . . 0.0 111.993 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.5 80.29 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.098 -1.626 . . . . 0.0 116.133 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.1 34.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.602 2.439 . . . . 0.0 106.026 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.02 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 127.555 3.035 . . . . 0.0 109.072 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.53 139.76 36.75 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.2 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.364 -2.255 . . . . 0.0 108.472 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.19 4.056 . . . . 0.0 103.533 174.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 O-C-N 127.713 3.133 . . . . 0.0 111.177 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.45 37.58 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.281 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.47 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 122.509 2.14 . . . . 0.0 111.986 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.889 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.312 -1.755 . . . . 0.0 109.863 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 127.218 2.824 . . . . 0.0 110.397 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.342 -0.849 . . . . 0.0 110.694 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.43 86.96 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.34 1.056 . . . . 0.0 111.486 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.41 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.054 1.471 . . . . 0.0 109.326 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.93 83.72 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.785 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.34 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 117.979 0.354 . . . . 0.0 111.212 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.387 0 O-C-N 120.413 -1.429 . . . . 0.0 110.791 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.43 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 125.518 2.58 . . . . 0.0 109.022 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.67 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.711 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.94 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.3 8.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.071 2.669 . . . . 0.0 113.972 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.35 90.16 Favored Glycine 0 CA--C 1.478 -2.243 0 N-CA-C 118.904 2.321 . . . . 0.0 118.904 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.81 83.44 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.754 -1.178 . . . . 0.0 110.981 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.156 2.571 . . . . 0.0 110.908 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.12 92.63 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.88 0.937 . . . . 0.0 113.443 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 119.975 -1.703 . . . . 0.0 112.198 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.42 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.513 -1.367 . . . . 0.0 112.01 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.282 1.991 . . . . 0.0 115.573 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.18 115.93 23.98 Favored 'General case' 0 C--O 1.296 3.54 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.27 50.95 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 119.456 1.025 . . . . 0.0 109.951 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 125.174 1.546 . . . . 0.0 111.955 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.02 19.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.267 -2.242 . . . . 0.0 110.758 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.87 21.47 61.11 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 128.378 2.894 . . . . 0.0 117.466 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.28 34.61 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.44 37.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.038 -175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 125.079 1.487 . . . . 0.0 109.956 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.26 29.21 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 120.689 3.588 . . . . 0.0 120.689 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.92 85.2 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.096 1.198 . . . . 0.0 116.096 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.006 -1.879 . . . . 0.0 108.009 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.185 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.29 70.73 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.458 1.123 . . . . 0.0 110.698 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.39 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.655 -1.164 . . . . 0.0 112.986 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.39 18.47 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 121.575 1.988 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.4 30.3 Favored 'Isoleucine or valine' 0 C--O 1.267 2.013 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.166 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.34 169.57 8.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.161 2.163 . . . . 0.0 109.509 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 18.9 tttm -54.8 143.03 26.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.23 1.491 . . . . 0.0 109.251 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.66 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.722 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.445 2.966 . . . . 0.0 105.876 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.521 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.93 28.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 178.474 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.49 36.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.227 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.51 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.978 2.674 . . . . 0.0 108.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.16 49.53 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.479 4.862 . . . . 0.0 108.791 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.473 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 129.406 4.191 . . . . 0.0 108.04 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.88 49.25 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.088 0.868 . . . . 0.0 112.603 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 14.99 30.28 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.031 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.45 80.33 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.145 -1.597 . . . . 0.0 116.123 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.07 34.39 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.8 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.689 2.493 . . . . 0.0 106.021 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 127.598 3.061 . . . . 0.0 109.069 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.7 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.262 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.0 44.22 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.481 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.002 1 O-C-N 129.167 4.042 . . . . 0.0 103.561 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.727 3.142 . . . . 0.0 111.209 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 112.122 -2.308 . . . . 0.0 106.294 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.22 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.604 2.203 . . . . 0.0 111.911 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.926 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.87 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.39 21.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.24 77.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 O-C-N 127.163 2.789 . . . . 0.0 110.399 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.42 79.27 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.325 -0.859 . . . . 0.0 110.701 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 124.293 1.037 . . . . 0.0 111.578 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.058 1.473 . . . . 0.0 109.335 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.97 83.87 Favored 'General case' 0 C--O 1.256 1.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.781 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.4 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.016 0.371 . . . . 0.0 111.231 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.324 -1.485 . . . . 0.0 110.798 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.37 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 125.467 2.556 . . . . 0.0 109.004 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.53 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.757 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.42 17.97 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.38 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.115 2.689 . . . . 0.0 113.977 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.907 2.323 . . . . 0.0 118.907 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.027 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.114 2.543 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.261 1.663 0 O-C-N 122.885 0.94 . . . . 0.0 113.44 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.56 63.64 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 120.015 -1.678 . . . . 0.0 112.224 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.45 28.8 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.482 -1.386 . . . . 0.0 112.037 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 124.294 1.997 . . . . 0.0 115.607 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.544 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 O-C-N 125.199 1.562 . . . . 0.0 111.854 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.806 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.01 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.365 2.888 . . . . 0.0 117.506 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.31 34.59 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.057 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.07 36.63 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 125.077 1.486 . . . . 0.0 109.951 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.2 30.05 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.697 3.591 . . . . 0.0 120.697 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.29 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.109 1.204 . . . . 0.0 116.109 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.58 16.98 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 120.017 -1.873 . . . . 0.0 107.983 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.23 79.31 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.039 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.174 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.34 70.45 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.455 1.122 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.44 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.029 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.38 18.56 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.52 1.964 . . . . 0.0 111.224 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.42 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.125 -2.369 . . . . 0.0 106.172 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.55 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.067 2.104 . . . . 0.0 109.507 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -54.76 143.03 26.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.222 1.486 . . . . 0.0 109.244 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.19 159.45 34.63 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.11 126.66 52.15 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.759 -2.543 . . . . 0.0 105.7 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.402 2.939 . . . . 0.0 105.924 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.819 0 CA-C-O 117.577 -1.202 . . . . 0.0 111.498 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.101 0.477 . . . . 0.0 109.845 178.454 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.91 37.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.531 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 126.959 2.662 . . . . 0.0 108.893 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.95 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.433 4.833 . . . . 0.0 108.758 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.503 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.236 1 O-C-N 129.41 4.194 . . . . 0.0 108.062 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.94 49.56 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.086 0.866 . . . . 0.0 112.602 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.27 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.45 80.31 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.142 -1.599 . . . . 0.0 116.188 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.631 2.457 . . . . 0.0 106.044 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.01 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.613 3.07 . . . . 0.0 109.032 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.76 36.67 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.265 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.385 -2.245 . . . . 0.0 108.428 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.42 Favored 'General case' 0 N--CA 1.5 2.041 1 O-C-N 129.243 4.09 . . . . 0.0 103.56 174.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.723 3.139 . . . . 0.0 111.24 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.5 37.76 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.144 -2.298 . . . . 0.0 106.294 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.51 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.589 2.193 . . . . 0.0 111.918 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.948 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.868 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.149 2.781 . . . . 0.0 110.368 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.349 -0.844 . . . . 0.0 110.727 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.93 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.315 1.046 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.019 1.449 . . . . 0.0 109.324 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.08 87.39 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 117.957 0.344 . . . . 0.0 111.227 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.3 86.98 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.405 -1.435 . . . . 0.0 110.81 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.45 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.59 79.36 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.461 2.553 . . . . 0.0 108.984 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.54 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.747 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.43 17.97 Favored 'General case' 0 C--O 1.279 2.654 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.091 2.678 . . . . 0.0 113.969 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.45 90.08 Favored Glycine 0 CA--C 1.478 -2.25 0 N-CA-C 118.917 2.327 . . . . 0.0 118.917 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.85 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.797 -1.161 . . . . 0.0 111.017 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.48 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.142 2.561 . . . . 0.0 110.916 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.262 1.682 0 O-C-N 122.892 0.943 . . . . 0.0 113.393 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.14 -15.59 63.65 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.986 -1.696 . . . . 0.0 112.221 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.522 -1.361 . . . . 0.0 112.045 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 124.332 2.015 . . . . 0.0 115.616 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.02 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.502 1.046 . . . . 0.0 110.01 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.89 72.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.205 1.566 . . . . 0.0 111.904 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.32 129.67 18.84 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.74 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.61 60.99 Favored Glycine 0 N--CA 1.432 -1.603 0 C-N-CA 128.365 2.888 . . . . 0.0 117.505 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.4 37.46 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.991 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.74 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 125.096 1.497 . . . . 0.0 109.935 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.66 Favored 'General case' 0 C--O 1.266 1.923 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.84 85.29 Favored Glycine 0 CA--C 1.491 -1.439 0 N-CA-C 116.119 1.208 . . . . 0.0 116.119 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.62 16.99 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 119.978 -1.896 . . . . 0.0 108.01 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.56 11.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.19 79.24 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.167 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.26 70.48 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.497 1.142 . . . . 0.0 110.736 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.65 51.59 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.965 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.37 18.31 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.582 1.992 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.048 0 CA-C-O 115.134 -2.365 . . . . 0.0 106.167 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.07 2.106 . . . . 0.0 109.533 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 123.223 1.487 . . . . 0.0 109.235 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 117.896 2.554 . . . . 0.0 117.896 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.56 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.14 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.65 19.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.752 -2.546 . . . . 0.0 105.667 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.388 2.93 . . . . 0.0 105.903 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.83 30.87 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.482 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.196 0.522 . . . . 0.0 109.86 178.452 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.78 37.38 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.238 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.506 -179.061 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.944 2.652 . . . . 0.0 108.952 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.662 1 O-C-N 130.455 4.847 . . . . 0.0 108.774 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.499 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.53 41.27 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.388 4.18 . . . . 0.0 108.067 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.4 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.98 49.75 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.048 0.843 . . . . 0.0 112.602 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.5 80.35 Favored Glycine 0 C--N 1.298 -1.554 0 O-C-N 120.162 -1.586 . . . . 0.0 116.145 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.78 55.33 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.56 2.412 . . . . 0.0 106.018 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.615 3.072 . . . . 0.0 109.039 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.77 36.71 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.281 -1.767 . . . . 0.0 108.224 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.449 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.45 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.229 4.08 . . . . 0.0 103.565 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 O-C-N 127.638 3.086 . . . . 0.0 111.252 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.8 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.188 -2.278 . . . . 0.0 106.351 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.43 39.49 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.573 2.182 . . . . 0.0 111.933 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.889 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.905 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.28 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.176 2.798 . . . . 0.0 110.409 175.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.42 79.13 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.374 -0.829 . . . . 0.0 110.764 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 124.316 1.046 . . . . 0.0 111.495 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.02 1.45 . . . . 0.0 109.297 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -38.01 83.85 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.756 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.004 0.366 . . . . 0.0 111.209 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.0 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.404 -1.435 . . . . 0.0 110.815 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.2 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 125.522 2.582 . . . . 0.0 109.037 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.716 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.151 2.705 . . . . 0.0 113.957 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.3 90.17 Favored Glycine 0 CA--C 1.478 -2.258 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.022 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.9 79.42 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.126 2.551 . . . . 0.0 110.925 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.653 0 O-C-N 122.884 0.939 . . . . 0.0 113.423 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.727 0 O-C-N 120.0 -1.688 . . . . 0.0 112.199 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.44 28.87 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.523 -1.361 . . . . 0.0 112.021 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.266 1.984 . . . . 0.0 115.67 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.26 50.95 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.481 1.037 . . . . 0.0 109.995 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.148 1.53 . . . . 0.0 111.904 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.94 19.73 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.715 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.374 2.893 . . . . 0.0 117.551 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.34 37.49 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.033 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.04 36.67 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.015 1.447 . . . . 0.0 109.972 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.2 29.94 Favored 'General case' 0 C--O 1.265 1.881 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.28 Favored Glycine 0 CA--C 1.492 -1.389 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.58 17.01 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.002 -1.881 . . . . 0.0 108.002 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.25 79.39 Favored 'General case' 0 C--O 1.202 -1.409 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.76 Favored 'General case' 0 C--O 1.269 2.087 0 C-N-CA 117.343 -1.743 . . . . 0.0 112.152 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.26 70.61 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.493 1.139 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.66 51.56 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.953 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.41 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 121.595 1.998 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.138 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.08 2.113 . . . . 0.0 109.527 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.71 143.03 26.42 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.218 1.485 . . . . 0.0 109.257 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.68 52.16 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.7 19.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 114.717 -2.563 . . . . 0.0 105.72 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.72 46.55 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.41 2.944 . . . . 0.0 105.873 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.523 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.181 0.515 . . . . 0.0 109.769 178.464 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.87 38.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.252 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.476 -179.208 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 126.98 2.675 . . . . 0.0 108.894 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.436 4.835 . . . . 0.0 108.761 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.17 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.485 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.54 41.23 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.338 4.149 . . . . 0.0 108.04 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.73 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.081 0.863 . . . . 0.0 112.596 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.823 -2.351 . . . . 0.0 112.013 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.58 80.25 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.119 -1.613 . . . . 0.0 116.13 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.06 34.52 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.77 55.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 126.615 2.447 . . . . 0.0 106.045 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.55 141.95 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.587 3.055 . . . . 0.0 109.03 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.39 139.81 36.54 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.284 -1.766 . . . . 0.0 108.198 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.02 44.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.467 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.19 44.38 Favored 'General case' 0 N--CA 1.499 1.977 1 O-C-N 129.236 4.085 . . . . 0.0 103.595 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.67 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.74 3.15 . . . . 0.0 111.205 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.54 37.82 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.31 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.29 Favored 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 122.582 2.188 . . . . 0.0 111.953 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.872 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.885 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.38 21.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.172 2.795 . . . . 0.0 110.355 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.4 79.04 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.335 -0.853 . . . . 0.0 110.68 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.8 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.304 1.042 . . . . 0.0 111.54 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.4 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.059 1.474 . . . . 0.0 109.324 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.97 83.78 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.06 87.16 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.024 0.374 . . . . 0.0 111.217 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.26 86.85 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.367 -1.458 . . . . 0.0 110.757 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.45 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.549 2.595 . . . . 0.0 109.022 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.42 17.95 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.12 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 123.097 2.68 . . . . 0.0 113.963 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.839 2.295 . . . . 0.0 118.839 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.85 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.158 2.572 . . . . 0.0 110.93 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.2 92.78 Favored 'Trans proline' 0 C--O 1.262 1.692 0 C-N-CA 120.709 0.939 . . . . 0.0 113.429 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.16 -15.6 63.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 119.963 -1.711 . . . . 0.0 112.185 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.47 28.91 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.551 -1.343 . . . . 0.0 112.042 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.276 1.989 . . . . 0.0 115.642 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.97 24.04 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 119.476 1.034 . . . . 0.0 109.975 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.21 1.569 . . . . 0.0 111.862 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.02 19.39 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.23 -2.259 . . . . 0.0 110.753 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 128.355 2.883 . . . . 0.0 117.504 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.44 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.056 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.03 36.69 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.014 1.446 . . . . 0.0 109.961 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.86 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.11 0 O-C-N 120.002 -1.881 . . . . 0.0 108.026 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.24 79.32 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.61 70.79 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.312 -1.755 . . . . 0.0 112.172 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.29 70.69 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.451 1.12 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 117.623 -1.18 . . . . 0.0 112.939 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.33 18.46 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 121.584 1.993 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.071 2.107 . . . . 0.0 109.487 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 20.0 pttt -54.75 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.21 1.481 . . . . 0.0 109.266 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.19 10.65 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.57 34.43 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.71 52.16 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.699 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.463 2.977 . . . . 0.0 105.875 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.81 30.83 Favored 'General case' 0 C--O 1.282 2.8 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.51 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.197 0.522 . . . . 0.0 109.805 178.489 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.8 37.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.307 0 CA-C-O 113.354 -3.212 . . . . 0.0 105.497 179.479 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.961 2.663 . . . . 0.0 108.941 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.08 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.441 4.838 . . . . 0.0 108.758 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.503 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.47 41.2 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.369 4.168 . . . . 0.0 108.078 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.97 49.72 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.034 0.834 . . . . 0.0 112.603 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.03 30.15 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.005 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.44 80.38 Favored Glycine 0 C--N 1.298 -1.58 0 O-C-N 120.17 -1.581 . . . . 0.0 116.171 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.03 34.47 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 126.576 2.422 . . . . 0.0 106.022 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.99 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 127.574 3.046 . . . . 0.0 109.008 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.79 36.59 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.26 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.49 154.02 44.33 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.395 -2.241 . . . . 0.0 108.454 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.36 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.16 4.037 . . . . 0.0 103.57 174.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 O-C-N 127.676 3.11 . . . . 0.0 111.224 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.7 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.342 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.41 39.09 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.556 2.171 . . . . 0.0 111.974 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.21 59.16 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.882 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 117.369 -1.732 . . . . 0.0 109.854 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 O-C-N 127.19 2.806 . . . . 0.0 110.374 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.55 -40.53 79.09 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.341 -0.849 . . . . 0.0 110.73 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.4 -44.51 87.22 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 111.491 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.46 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.033 1.458 . . . . 0.0 109.281 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.04 83.85 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.03 87.26 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.001 0.364 . . . . 0.0 111.255 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.427 -1.421 . . . . 0.0 110.799 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.54 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.484 2.564 . . . . 0.0 108.978 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.782 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.41 17.92 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.093 2.679 . . . . 0.0 113.934 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.479 -2.215 0 N-CA-C 118.825 2.29 . . . . 0.0 118.825 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.86 83.37 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.776 -1.17 . . . . 0.0 111.043 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.12 2.546 . . . . 0.0 110.975 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.25 -32.12 92.73 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.702 0.935 . . . . 0.0 113.448 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.977 -1.702 . . . . 0.0 112.166 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.48 28.87 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.514 -1.366 . . . . 0.0 112.055 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.64 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.294 1.997 . . . . 0.0 115.625 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.99 24.09 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.65 130.25 51.08 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.492 1.042 . . . . 0.0 109.991 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.165 1.54 . . . . 0.0 111.916 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.65 18.86 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.52 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 112.237 -2.256 . . . . 0.0 110.777 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.88 21.46 61.1 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.351 2.881 . . . . 0.0 117.541 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.63 46.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.52 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.025 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.71 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 125.108 1.505 . . . . 0.0 109.981 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.18 29.81 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.28 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.088 1.195 . . . . 0.0 116.088 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.59 16.99 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.993 -1.886 . . . . 0.0 107.976 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.62 164.57 11.67 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.22 79.23 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.57 70.73 Favored 'General case' 0 C--O 1.269 2.083 0 C-N-CA 117.263 -1.775 . . . . 0.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 122.51 1.147 . . . . 0.0 110.747 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.0 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.36 18.48 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 121.543 1.974 . . . . 0.0 111.175 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.107 -2.378 . . . . 0.0 106.185 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.091 2.12 . . . . 0.0 109.499 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -54.75 143.02 26.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.211 1.482 . . . . 0.0 109.25 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.11 10.61 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.54 34.52 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.68 52.11 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.66 19.1 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.714 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.35 2.906 . . . . 0.0 105.891 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.77 30.77 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.471 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.93 28.45 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 109.817 178.446 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.21 36.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.473 -179.744 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.956 2.66 . . . . 0.0 108.902 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.02 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.512 2.661 1 O-C-N 130.425 4.828 . . . . 0.0 108.803 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.439 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.49 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.4 4.187 . . . . 0.0 108.067 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.9 49.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.097 0.873 . . . . 0.0 112.544 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.07 30.02 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.009 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.149 -1.594 . . . . 0.0 116.128 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.08 34.36 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 175.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.75 55.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.605 2.441 . . . . 0.0 106.049 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.02 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.596 3.06 . . . . 0.0 109.05 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.83 36.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.232 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.03 44.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.81 121.19 44.39 Favored 'General case' 0 N--CA 1.498 1.958 1 O-C-N 129.181 4.05 . . . . 0.0 103.596 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.62 15.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.698 3.124 . . . . 0.0 111.242 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.2 -2.273 . . . . 0.0 106.355 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.47 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.509 2.139 . . . . 0.0 111.957 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.851 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.58 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.18 2.8 . . . . 0.0 110.377 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.48 79.16 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.362 -0.836 . . . . 0.0 110.71 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.48 86.98 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 124.343 1.057 . . . . 0.0 111.501 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.028 1.455 . . . . 0.0 109.29 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.97 83.92 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.05 87.32 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 117.992 0.36 . . . . 0.0 111.21 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.2 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 120.428 -1.42 . . . . 0.0 110.829 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.52 77.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.62 79.26 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.495 2.569 . . . . 0.0 108.985 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.704 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.46 17.95 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.114 2.688 . . . . 0.0 113.958 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.26 5.3 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.82 83.43 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 118.761 -1.176 . . . . 0.0 111.029 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.117 2.544 . . . . 0.0 110.943 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.72 0 C-N-CA 120.7 0.933 . . . . 0.0 113.403 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.78 0 O-C-N 119.95 -1.719 . . . . 0.0 112.229 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.79 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.535 -1.353 . . . . 0.0 112.026 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 124.303 2.001 . . . . 0.0 115.671 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.9 23.86 Favored 'General case' 0 C--O 1.296 3.509 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.93 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.479 1.036 . . . . 0.0 109.979 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.146 1.529 . . . . 0.0 111.893 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.7 18.95 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.95 19.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.214 -2.266 . . . . 0.0 110.825 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.373 2.892 . . . . 0.0 117.469 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.804 -2.665 . . . . 0.0 103.804 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 117.757 -1.115 . . . . 0.0 109.982 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 125.081 1.488 . . . . 0.0 109.923 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.83 85.28 Favored Glycine 0 CA--C 1.492 -1.355 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 120.009 -1.877 . . . . 0.0 108.025 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.54 11.68 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.09 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.97 -29.55 70.7 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.299 -1.76 . . . . 0.0 112.193 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.31 70.59 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.451 1.119 . . . . 0.0 110.679 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.38 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.981 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.31 18.47 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.56 1.982 . . . . 0.0 111.211 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.169 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.102 2.126 . . . . 0.0 109.543 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 19.3 ptpt -54.78 143.02 26.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.267 1.508 . . . . 0.0 109.23 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.97 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 117.935 2.568 . . . . 0.0 117.935 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.681 -2.581 . . . . 0.0 105.757 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.5 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.945 . . . . 0.0 105.882 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.97 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.532 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 178.497 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.79 36.04 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.269 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.51 -179.361 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 127.013 2.695 . . . . 0.0 108.939 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.0 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.465 4.853 . . . . 0.0 108.821 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.371 -3.204 . . . . 0.0 105.495 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.44 41.17 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.424 4.203 . . . . 0.0 108.058 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.69 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.071 0.857 . . . . 0.0 112.567 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.808 -2.357 . . . . 0.0 111.98 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.56 80.28 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.137 -1.602 . . . . 0.0 116.094 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.45 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.628 2.455 . . . . 0.0 105.967 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 127.544 3.028 . . . . 0.0 109.102 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.68 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.215 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.06 44.17 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 115.386 -2.245 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.119 4.012 . . . . 0.0 103.562 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 O-C-N 127.689 3.118 . . . . 0.0 111.21 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.48 37.56 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.179 -2.282 . . . . 0.0 106.325 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.4 38.76 Favored 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 122.551 2.167 . . . . 0.0 111.944 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.98 -8.12 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.914 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.311 -1.756 . . . . 0.0 109.864 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.45 21.17 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.221 2.826 . . . . 0.0 110.39 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.2 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.37 -0.831 . . . . 0.0 110.699 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.17 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.297 1.039 . . . . 0.0 111.549 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.37 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 125.057 1.473 . . . . 0.0 109.263 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.94 83.81 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.778 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.278 2.559 0 CA-C-N 117.97 0.35 . . . . 0.0 111.227 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.24 86.81 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 120.401 -1.437 . . . . 0.0 110.815 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.52 77.49 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.62 79.26 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 125.514 2.578 . . . . 0.0 109.014 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.754 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.091 2.678 . . . . 0.0 113.983 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.911 2.325 . . . . 0.0 118.911 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.92 83.27 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.045 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.77 Favored 'Trans proline' 0 C--O 1.258 1.512 0 C-N-CA 123.177 2.585 . . . . 0.0 110.94 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.664 0 O-C-N 122.851 0.922 . . . . 0.0 113.434 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.774 0 O-C-N 119.966 -1.709 . . . . 0.0 112.229 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.42 29.03 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.524 -1.36 . . . . 0.0 112.011 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.69 34.77 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 124.304 2.002 . . . . 0.0 115.647 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.87 23.83 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.24 50.9 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.483 1.038 . . . . 0.0 109.948 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.81 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 125.133 1.52 . . . . 0.0 111.863 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.95 19.52 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.819 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.08 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.313 2.864 . . . . 0.0 117.508 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.33 37.43 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 117.762 -1.114 . . . . 0.0 110.001 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.75 139.99 36.65 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.067 1.479 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.88 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.423 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.58 16.99 Favored 'General case' 0 C--O 1.25 1.102 0 O-C-N 119.998 -1.884 . . . . 0.0 108.005 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.2 79.26 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.349 -1.74 . . . . 0.0 112.135 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.31 70.56 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.41 1.1 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.67 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.644 -1.17 . . . . 0.0 112.956 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.561 1.982 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.42 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.161 -2.352 . . . . 0.0 106.186 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.068 2.105 . . . . 0.0 109.568 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.74 143.06 26.5 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 123.224 1.488 . . . . 0.0 109.281 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.21 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.51 34.53 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.739 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.409 2.943 . . . . 0.0 105.869 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.482 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 178.449 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.64 36.24 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 -179.623 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 127.032 2.708 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 115.953 -1.975 . . . . 0.0 105.702 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.99 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.469 4.856 . . . . 0.0 108.812 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.477 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.52 41.24 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.94 49.55 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 124.039 0.837 . . . . 0.0 112.575 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.811 -2.356 . . . . 0.0 111.998 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.32 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.097 -1.627 . . . . 0.0 116.088 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.38 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 126.544 2.402 . . . . 0.0 106.03 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 127.631 3.082 . . . . 0.0 109.068 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.66 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.238 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.431 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.265 4.103 . . . . 0.0 103.563 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 O-C-N 127.737 3.148 . . . . 0.0 111.178 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.69 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.143 -2.298 . . . . 0.0 106.317 174.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 122.5 2.133 . . . . 0.0 111.96 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.91 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.46 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.843 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.17 2.794 . . . . 0.0 110.372 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.43 78.98 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.378 -0.826 . . . . 0.0 110.763 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.47 87.06 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.336 1.055 . . . . 0.0 111.507 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 125.023 1.452 . . . . 0.0 109.342 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.97 83.7 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.762 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.968 0.349 . . . . 0.0 111.152 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.31 87.04 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.358 -1.464 . . . . 0.0 110.829 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.53 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.531 2.586 . . . . 0.0 109.014 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.65 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.749 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.618 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.64 -6.34 8.06 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.132 2.696 . . . . 0.0 114.006 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.894 2.318 . . . . 0.0 118.894 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.81 124.87 83.17 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.109 2.539 . . . . 0.0 110.952 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.18 92.74 Favored 'Trans proline' 0 C--O 1.262 1.681 0 O-C-N 122.878 0.936 . . . . 0.0 113.438 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.6 63.64 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.77 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.511 -1.368 . . . . 0.0 112.054 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.72 34.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.304 2.002 . . . . 0.0 115.614 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.89 Favored 'General case' 0 C--O 1.296 3.543 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 51.0 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 119.448 1.022 . . . . 0.0 110.002 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.153 1.533 . . . . 0.0 111.88 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.795 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.08 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.363 2.887 . . . . 0.0 117.495 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.61 46.4 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.592 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.61 138.4 37.42 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.985 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 125.01 1.444 . . . . 0.0 109.98 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.69 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.03 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 119.954 -1.909 . . . . 0.0 107.959 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.17 79.25 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.183 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.51 -39.34 70.37 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.5 1.143 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.62 51.56 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.718 -1.134 . . . . 0.0 113.026 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.41 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 121.551 1.978 . . . . 0.0 111.209 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.072 -2.395 . . . . 0.0 106.186 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.131 2.145 . . . . 0.0 109.521 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 18.9 ptpt -54.78 143.0 26.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.226 1.489 . . . . 0.0 109.281 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.497 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.97 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.46 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.69 52.11 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.69 19.04 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.678 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.71 135.77 46.53 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.42 2.95 . . . . 0.0 105.852 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.78 30.78 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.619 -1.181 . . . . 0.0 111.465 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.163 0.506 . . . . 0.0 109.801 178.458 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.17 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.24 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.486 -178.728 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.2 31.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.96 2.662 . . . . 0.0 108.932 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.02 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.512 2.646 1 O-C-N 130.449 4.843 . . . . 0.0 108.794 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.421 -3.181 . . . . 0.0 105.485 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.415 4.197 . . . . 0.0 108.051 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.74 8.4 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.054 0.846 . . . . 0.0 112.614 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.07 30.0 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.014 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.44 80.41 Favored Glycine 0 C--N 1.298 -1.538 0 O-C-N 120.107 -1.62 . . . . 0.0 116.132 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.04 34.48 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.77 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.593 2.433 . . . . 0.0 106.024 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.96 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 127.624 3.078 . . . . 0.0 109.049 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.229 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 115.379 -2.248 . . . . 0.0 108.473 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.192 4.058 . . . . 0.0 103.545 174.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.67 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.678 3.111 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.49 37.77 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.281 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.44 39.31 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.538 2.159 . . . . 0.0 111.97 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.894 -177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.52 47.45 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.847 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.26 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 127.192 2.807 . . . . 0.0 110.401 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.44 78.95 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.366 -0.833 . . . . 0.0 110.696 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.53 86.78 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.353 1.061 . . . . 0.0 111.468 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.44 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 125.09 1.494 . . . . 0.0 109.288 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.99 83.79 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.766 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.99 87.11 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 118.047 0.385 . . . . 0.0 111.216 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.21 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 120.345 -1.472 . . . . 0.0 110.77 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.47 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.36 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.5 2.572 . . . . 0.0 108.983 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.72 66.48 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.712 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.644 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.38 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.109 2.686 . . . . 0.0 113.965 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.317 0 N-CA-C 118.887 2.315 . . . . 0.0 118.887 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.77 124.82 83.26 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.823 -1.151 . . . . 0.0 111.008 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.124 2.549 . . . . 0.0 110.888 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.76 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 122.908 0.951 . . . . 0.0 113.414 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.55 63.62 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.997 -1.689 . . . . 0.0 112.18 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.507 -1.371 . . . . 0.0 112.032 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.29 1.995 . . . . 0.0 115.647 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.23 50.93 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.453 1.024 . . . . 0.0 109.988 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.86 72.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.141 1.526 . . . . 0.0 111.924 -177.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.65 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 112.233 -2.258 . . . . 0.0 110.762 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.61 61.09 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.361 2.886 . . . . 0.0 117.5 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.051 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.02 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.031 1.457 . . . . 0.0 110.0 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.21 29.49 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.84 85.23 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.087 1.195 . . . . 0.0 116.087 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.966 -1.902 . . . . 0.0 107.969 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.22 79.29 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.269 -1.772 . . . . 0.0 112.174 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.34 70.51 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 122.461 1.124 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.979 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.557 1.981 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.46 30.38 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.108 -2.377 . . . . 0.0 106.17 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.47 169.54 8.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.138 2.149 . . . . 0.0 109.538 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.544 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.06 26.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.212 1.482 . . . . 0.0 109.227 -176.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.16 10.63 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.49 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.68 135.77 46.5 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.381 2.925 . . . . 0.0 105.906 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 117.621 -1.18 . . . . 0.0 111.532 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.163 0.506 . . . . 0.0 109.813 178.479 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.05 39.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.272 0 CA-C-O 113.377 -3.201 . . . . 0.0 105.477 179.553 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.965 2.666 . . . . 0.0 108.898 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 173.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.435 4.834 . . . . 0.0 108.787 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.471 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.45 41.22 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.41 4.194 . . . . 0.0 108.035 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.76 8.39 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.96 49.67 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.085 0.866 . . . . 0.0 112.575 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.02 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.84 -2.344 . . . . 0.0 111.987 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.298 -1.57 0 O-C-N 120.113 -1.617 . . . . 0.0 116.129 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.04 34.46 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 174.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.32 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 126.619 2.45 . . . . 0.0 106.014 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.0 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.572 3.045 . . . . 0.0 109.034 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.2 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.04 44.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.424 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.27 44.58 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.169 4.043 . . . . 0.0 103.545 173.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 O-C-N 127.669 3.106 . . . . 0.0 111.194 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.138 -2.301 . . . . 0.0 106.356 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 122.575 2.183 . . . . 0.0 112.003 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.857 -177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.52 47.49 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.889 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.3 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 127.166 2.791 . . . . 0.0 110.394 175.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.45 79.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.369 -0.832 . . . . 0.0 110.742 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.46 86.88 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.341 1.056 . . . . 0.0 111.542 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.38 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 125.05 1.469 . . . . 0.0 109.341 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.96 83.84 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.773 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.01 87.02 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.98 0.355 . . . . 0.0 111.245 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.356 -1.465 . . . . 0.0 110.787 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.52 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.46 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.554 2.597 . . . . 0.0 109.012 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.694 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.33 8.1 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.1 2.682 . . . . 0.0 113.958 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.911 2.324 . . . . 0.0 118.911 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.4 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.988 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.119 2.546 . . . . 0.0 110.955 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.16 92.75 Favored 'Trans proline' 0 C--O 1.262 1.716 0 O-C-N 122.856 0.924 . . . . 0.0 113.375 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.969 -1.707 . . . . 0.0 112.202 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.481 -1.387 . . . . 0.0 112.009 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.278 1.989 . . . . 0.0 115.654 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.26 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.436 1.016 . . . . 0.0 110.022 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.77 72.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.164 1.54 . . . . 0.0 111.89 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.0 19.58 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.297 -2.229 . . . . 0.0 110.743 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.62 61.12 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.398 2.904 . . . . 0.0 117.49 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.12 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.35 37.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.023 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.73 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 125.073 1.483 . . . . 0.0 109.924 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.24 29.17 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.747 3.61 . . . . 0.0 120.747 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.88 85.24 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.015 -1.873 . . . . 0.0 108.021 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.63 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.13 -36.24 79.23 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.179 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.27 70.64 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.454 1.121 . . . . 0.0 110.723 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.002 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.51 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 121.52 1.964 . . . . 0.0 111.176 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.173 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.5 8.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.102 2.126 . . . . 0.0 109.529 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.73 143.06 26.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.186 1.47 . . . . 0.0 109.262 -176.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.88 19.19 10.67 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.71 52.25 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.728 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.39 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.443 2.964 . . . . 0.0 105.924 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.79 Favored 'General case' 0 C--O 1.283 2.832 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.478 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.87 28.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.192 0.52 . . . . 0.0 109.828 178.488 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.91 35.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.226 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.528 179.222 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 127.0 2.687 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.416 4.823 . . . . 0.0 108.76 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.51 41.25 Favored 'General case' 0 N--CA 1.505 2.286 1 O-C-N 129.381 4.176 . . . . 0.0 108.05 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.84 49.04 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.044 0.84 . . . . 0.0 112.56 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.796 -2.362 . . . . 0.0 112.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.53 80.33 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 120.117 -1.614 . . . . 0.0 116.143 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.07 34.49 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.33 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 126.546 2.404 . . . . 0.0 106.016 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 127.586 3.054 . . . . 0.0 109.078 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.7 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 117.252 -1.779 . . . . 0.0 108.232 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.98 44.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 115.377 -2.249 . . . . 0.0 108.434 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.15 44.31 Favored 'General case' 0 N--CA 1.498 1.966 1 O-C-N 129.17 4.044 . . . . 0.0 103.61 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.01 170.64 15.88 Favored 'Isoleucine or valine' 0 C--O 1.251 1.148 0 O-C-N 127.7 3.125 . . . . 0.0 111.201 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.49 37.72 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.097 -2.319 . . . . 0.0 106.326 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.49 39.42 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.507 2.138 . . . . 0.0 111.918 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.13 59.12 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.874 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.44 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.875 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.42 21.2 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.214 2.821 . . . . 0.0 110.37 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.362 -0.836 . . . . 0.0 110.72 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.55 -44.37 86.99 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.264 1.026 . . . . 0.0 111.574 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.39 -46.45 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.069 1.481 . . . . 0.0 109.308 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.8 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.98 87.04 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-N 118.019 0.372 . . . . 0.0 111.251 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.26 86.88 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.387 -1.446 . . . . 0.0 110.83 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.53 79.57 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.565 2.602 . . . . 0.0 109.044 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.71 66.71 Favored 'General case' 0 C--O 1.254 1.33 0 CA-C-N 113.659 -1.61 . . . . 0.0 111.747 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.978 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.39 90.1 Favored Glycine 0 CA--C 1.477 -2.297 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.84 83.38 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.068 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.164 2.576 . . . . 0.0 110.953 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.77 Favored 'Trans proline' 0 C--O 1.262 1.714 0 C-N-CA 120.702 0.935 . . . . 0.0 113.396 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 119.938 -1.726 . . . . 0.0 112.218 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.48 28.74 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.485 -1.384 . . . . 0.0 112.048 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.71 129.65 34.8 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.305 2.002 . . . . 0.0 115.638 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 116.01 24.07 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.67 130.3 51.12 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.487 1.04 . . . . 0.0 109.981 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.86 72.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 125.16 1.537 . . . . 0.0 111.861 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.64 18.86 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.02 19.6 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.791 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 21.6 60.91 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.385 2.898 . . . . 0.0 117.515 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 103.795 -2.669 . . . . 0.0 103.795 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.38 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.034 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.112 1.508 . . . . 0.0 110.008 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.73 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.697 3.592 . . . . 0.0 120.697 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.422 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.04 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 119.955 -1.909 . . . . 0.0 108.009 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.54 11.67 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.2 79.16 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.133 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.25 70.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.485 1.136 . . . . 0.0 110.72 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.76 51.3 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.941 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.82 45.39 18.67 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.572 1.987 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.124 -2.369 . . . . 0.0 106.164 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.56 8.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.119 2.137 . . . . 0.0 109.539 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 12.0 mtpt -54.73 143.03 26.51 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.222 1.487 . . . . 0.0 109.262 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.67 52.07 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 118.294 -0.86 . . . . 0.0 108.68 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.752 -2.547 . . . . 0.0 105.724 174.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.47 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.891 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.546 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.171 0.51 . . . . 0.0 109.852 178.446 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.263 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.515 -179.029 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 126.956 2.66 . . . . 0.0 108.949 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.517 4.886 . . . . 0.0 108.794 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.499 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.44 41.22 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.384 4.177 . . . . 0.0 108.012 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.368 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.95 49.64 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.014 0.821 . . . . 0.0 112.604 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 115.8 -2.36 . . . . 0.0 111.993 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.116 -1.615 . . . . 0.0 116.085 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.72 55.3 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 126.65 2.469 . . . . 0.0 106.013 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.584 3.053 . . . . 0.0 109.037 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.233 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.407 -2.235 . . . . 0.0 108.452 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.26 44.57 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.153 4.033 . . . . 0.0 103.608 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.65 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 O-C-N 127.694 3.121 . . . . 0.0 111.229 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 112.148 -2.297 . . . . 0.0 106.28 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.47 39.34 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.567 2.178 . . . . 0.0 111.915 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.17 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.903 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.877 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.49 21.21 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.25 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.178 2.799 . . . . 0.0 110.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.337 -0.852 . . . . 0.0 110.704 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.43 87.02 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.36 1.064 . . . . 0.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.45 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.089 1.493 . . . . 0.0 109.34 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.789 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.07 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.407 -1.433 . . . . 0.0 110.834 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.38 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 125.477 2.561 . . . . 0.0 109.0 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.72 66.57 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.718 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.44 17.92 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.3 8.1 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 123.076 2.671 . . . . 0.0 113.96 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.32 90.17 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.89 2.316 . . . . 0.0 118.89 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.66 124.83 83.45 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.206 2.604 . . . . 0.0 110.889 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.67 Favored 'Trans proline' 0 C--O 1.262 1.683 0 O-C-N 122.888 0.941 . . . . 0.0 113.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.56 63.62 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 119.969 -1.707 . . . . 0.0 112.242 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.92 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.531 -1.356 . . . . 0.0 112.045 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.64 34.8 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.336 2.017 . . . . 0.0 115.647 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.94 23.96 Favored 'General case' 0 C--O 1.297 3.571 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.499 1.045 . . . . 0.0 109.986 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.05 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 125.183 1.552 . . . . 0.0 111.9 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.87 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.07 19.4 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.249 -2.25 . . . . 0.0 110.804 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.364 2.888 . . . . 0.0 117.511 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.6 46.42 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 103.789 -2.671 . . . . 0.0 103.789 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.31 37.44 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.045 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 140.0 36.67 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.025 1.453 . . . . 0.0 109.971 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.14 29.43 Favored 'General case' 0 C--O 1.265 1.88 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.22 Favored Glycine 0 CA--C 1.492 -1.346 0 N-CA-C 116.076 1.19 . . . . 0.0 116.076 -177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.53 17.03 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 120.07 -1.841 . . . . 0.0 108.031 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.15 79.26 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.74 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 117.329 -1.749 . . . . 0.0 112.15 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.28 70.48 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.464 1.126 . . . . 0.0 110.701 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.69 51.5 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.946 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.4 18.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.578 1.99 . . . . 0.0 111.205 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.103 2.127 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -54.71 142.98 26.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.215 1.483 . . . . 0.0 109.25 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.12 10.59 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.52 34.51 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.67 52.14 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.66 19.08 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 114.689 -2.577 . . . . 0.0 105.739 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 127.399 2.937 . . . . 0.0 105.916 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.841 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.51 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.98 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.202 0.525 . . . . 0.0 109.808 178.497 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.24 36.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.271 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.525 -177.641 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 126.956 2.66 . . . . 0.0 108.959 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 173.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.464 4.853 . . . . 0.0 108.764 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.5 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.44 41.2 Favored 'General case' 0 N--CA 1.504 2.257 1 O-C-N 129.417 4.198 . . . . 0.0 108.096 -178.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.9 49.35 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 124.067 0.854 . . . . 0.0 112.629 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.798 -2.361 . . . . 0.0 111.958 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.51 80.31 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.161 -1.587 . . . . 0.0 116.111 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.631 2.457 . . . . 0.0 105.987 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.611 3.069 . . . . 0.0 109.036 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.78 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.195 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.02 44.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.433 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.24 44.49 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.209 4.068 . . . . 0.0 103.561 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.65 15.72 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.671 3.107 . . . . 0.0 111.23 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.18 -2.282 . . . . 0.0 106.339 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.536 2.157 . . . . 0.0 111.96 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.895 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.45 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.88 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.189 2.806 . . . . 0.0 110.387 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.47 79.13 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.386 -0.821 . . . . 0.0 110.707 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.13 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 124.331 1.052 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.46 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.88 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 117.97 0.35 . . . . 0.0 111.239 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.28 86.91 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 120.424 -1.422 . . . . 0.0 110.755 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.49 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.57 79.37 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 125.488 2.566 . . . . 0.0 108.991 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.754 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.45 17.93 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.34 8.09 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.118 2.69 . . . . 0.0 113.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.3 90.16 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.9 83.34 Favored Pre-proline 0 C--O 1.243 0.756 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.026 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.91 79.55 Favored 'Trans proline' 0 C--O 1.26 1.584 0 C-N-CA 123.142 2.561 . . . . 0.0 110.952 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.73 Favored 'Trans proline' 0 C--O 1.262 1.694 0 O-C-N 122.863 0.928 . . . . 0.0 113.436 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.002 -1.687 . . . . 0.0 112.226 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.465 -1.397 . . . . 0.0 112.017 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.32 2.009 . . . . 0.0 115.656 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.97 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.446 1.021 . . . . 0.0 109.952 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.16 131.84 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.149 1.531 . . . . 0.0 111.929 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.71 18.97 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 45.98 19.29 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.62 61.09 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.313 2.863 . . . . 0.0 117.551 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.64 46.38 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.4 37.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.042 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.0 36.73 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.051 1.47 . . . . 0.0 109.98 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.21 30.09 Favored 'General case' 0 C--O 1.266 1.94 0 N-CA-C 120.675 3.583 . . . . 0.0 120.675 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.88 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.58 17.02 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.009 -1.877 . . . . 0.0 107.965 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.24 79.35 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.57 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.203 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.31 70.68 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 122.487 1.137 . . . . 0.0 110.74 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.995 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 121.555 1.98 . . . . 0.0 111.19 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.12 -2.372 . . . . 0.0 106.155 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 126.142 2.151 . . . . 0.0 109.56 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.474 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.08 26.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.194 1.473 . . . . 0.0 109.275 -176.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.15 10.67 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.948 2.573 . . . . 0.0 117.948 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.695 175.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.401 2.938 . . . . 0.0 105.88 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.79 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.475 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.216 0.531 . . . . 0.0 109.814 178.434 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.94 38.5 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.302 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.512 179.435 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.686 . . . . 0.0 108.928 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.25 49.41 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.508 4.88 . . . . 0.0 108.759 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.519 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.505 2.317 1 O-C-N 129.429 4.206 . . . . 0.0 108.049 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.37 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.092 0.87 . . . . 0.0 112.612 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.44 15.08 29.98 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.872 -2.331 . . . . 0.0 112.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.5 80.4 Favored Glycine 0 C--N 1.298 -1.566 0 O-C-N 120.094 -1.629 . . . . 0.0 116.052 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.07 34.41 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.587 2.43 . . . . 0.0 106.043 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.615 3.072 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.197 -1.801 . . . . 0.0 108.231 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.96 44.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.431 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.27 44.59 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.204 4.065 . . . . 0.0 103.553 173.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 127.653 3.096 . . . . 0.0 111.214 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.52 37.7 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.13 -2.304 . . . . 0.0 106.363 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.42 39.52 Favored 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 122.512 2.141 . . . . 0.0 111.934 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.913 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.46 47.58 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.341 -1.743 . . . . 0.0 109.922 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.44 21.28 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.181 2.8 . . . . 0.0 110.361 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.49 79.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.376 -0.828 . . . . 0.0 110.747 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.4 87.17 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.367 1.067 . . . . 0.0 111.511 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.45 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.09 1.493 . . . . 0.0 109.292 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.12 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.015 0.371 . . . . 0.0 111.207 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.376 -1.452 . . . . 0.0 110.779 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.56 77.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.41 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.519 2.58 . . . . 0.0 108.97 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.73 66.41 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.737 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.825 -1.15 . . . . 0.0 111.03 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.87 79.26 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.182 2.588 . . . . 0.0 110.942 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.13 -32.22 92.73 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.871 0.932 . . . . 0.0 113.422 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.49 63.6 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 119.902 -1.748 . . . . 0.0 112.206 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.46 28.72 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.489 -1.382 . . . . 0.0 112.08 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 124.346 2.022 . . . . 0.0 115.613 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.9 23.85 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 172.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.28 50.94 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.504 1.047 . . . . 0.0 110.002 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.77 72.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.136 1.522 . . . . 0.0 111.925 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.04 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.97 19.49 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.768 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.62 61.02 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.343 2.878 . . . . 0.0 117.51 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.2 34.62 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.35 37.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.02 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 139.93 36.77 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.115 1.51 . . . . 0.0 109.913 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.2 29.2 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 -175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.89 85.21 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.57 17.06 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 119.993 -1.887 . . . . 0.0 108.008 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.17 79.19 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.61 70.78 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.14 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.31 70.64 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.437 1.113 . . . . 0.0 110.706 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.66 51.53 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.0 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.95 45.29 18.41 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.524 1.965 . . . . 0.0 111.204 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.21 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.149 -2.358 . . . . 0.0 106.158 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.48 8.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 126.067 2.105 . . . . 0.0 109.515 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 143.03 26.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.185 1.469 . . . . 0.0 109.242 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.17 10.62 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.1 126.73 52.32 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.14 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.725 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.391 2.932 . . . . 0.0 105.885 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.503 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.88 28.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.143 0.496 . . . . 0.0 109.853 178.472 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.35 39.2 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.312 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.519 -179.232 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.015 2.697 . . . . 0.0 108.959 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.511 2.616 1 O-C-N 130.409 4.818 . . . . 0.0 108.788 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.539 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.51 41.23 Favored 'General case' 0 N--CA 1.505 2.304 1 O-C-N 129.394 4.183 . . . . 0.0 108.019 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.17 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.063 0.852 . . . . 0.0 112.581 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.02 30.18 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.83 -2.348 . . . . 0.0 111.955 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.51 80.34 Favored Glycine 0 C--N 1.297 -1.593 0 O-C-N 120.089 -1.632 . . . . 0.0 116.144 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.1 34.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.77 55.32 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.553 2.408 . . . . 0.0 106.031 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 127.559 3.037 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.71 36.75 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.169 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.03 44.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.355 -2.259 . . . . 0.0 108.438 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.27 44.6 Favored 'General case' 0 N--CA 1.498 1.973 1 O-C-N 129.205 4.066 . . . . 0.0 103.601 173.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.6 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.689 3.118 . . . . 0.0 111.204 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.92 144.49 37.55 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.327 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.44 39.25 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 122.532 2.155 . . . . 0.0 111.937 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.09 59.13 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.867 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.49 47.42 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.35 -1.74 . . . . 0.0 109.865 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.37 21.29 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.25 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.206 2.816 . . . . 0.0 110.385 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.362 -0.836 . . . . 0.0 110.729 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.44 86.96 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 111.484 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.45 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 125.072 1.482 . . . . 0.0 109.258 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.98 86.94 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.999 0.363 . . . . 0.0 111.189 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 120.406 -1.433 . . . . 0.0 110.781 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.4 77.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.62 79.15 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.467 2.556 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.51 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.118 2.69 . . . . 0.0 113.926 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.932 2.333 . . . . 0.0 118.932 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.992 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.9 79.46 Favored 'Trans proline' 0 C--O 1.26 1.605 0 C-N-CA 123.155 2.57 . . . . 0.0 110.901 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.14 92.67 Favored 'Trans proline' 0 C--O 1.262 1.695 0 O-C-N 122.861 0.927 . . . . 0.0 113.429 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.58 63.64 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.965 -1.709 . . . . 0.0 112.212 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.529 -1.357 . . . . 0.0 112.061 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.87 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.327 2.013 . . . . 0.0 115.654 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.97 23.96 Favored 'General case' 0 C--O 1.296 3.537 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.07 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.494 1.043 . . . . 0.0 109.955 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.75 72.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 125.21 1.568 . . . . 0.0 111.925 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.05 46.04 19.33 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.775 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.95 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 128.34 2.876 . . . . 0.0 117.5 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.03 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.044 1.465 . . . . 0.0 109.955 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.28 29.46 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.92 85.24 Favored Glycine 0 CA--C 1.492 -1.386 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.14 0 O-C-N 119.956 -1.908 . . . . 0.0 108.012 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.56 11.67 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.16 79.1 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.168 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.36 70.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.476 1.131 . . . . 0.0 110.698 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.65 51.51 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.651 -1.166 . . . . 0.0 112.972 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.4 18.44 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.588 1.994 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 CA-C-O 115.173 -2.346 . . . . 0.0 106.171 175.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.099 2.124 . . . . 0.0 109.502 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -54.78 143.02 26.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.2 1.476 . . . . 0.0 109.271 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.17 10.61 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.51 34.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.687 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.68 19.05 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.738 -2.554 . . . . 0.0 105.727 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.424 2.953 . . . . 0.0 105.905 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.77 30.76 Favored 'General case' 0 C--O 1.281 2.757 0 CA-C-O 117.625 -1.179 . . . . 0.0 111.472 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.07 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.212 0.53 . . . . 0.0 109.83 178.432 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.402 -3.19 . . . . 0.0 105.512 179.789 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 126.961 2.663 . . . . 0.0 108.944 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.632 1 O-C-N 130.436 4.835 . . . . 0.0 108.786 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.2 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.35 4.156 . . . . 0.0 108.081 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.72 8.41 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.01 49.91 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.992 0.808 . . . . 0.0 112.577 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.98 30.26 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.789 -2.364 . . . . 0.0 111.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.33 Favored Glycine 0 C--N 1.297 -1.589 0 O-C-N 120.102 -1.624 . . . . 0.0 116.133 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.0 34.54 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.79 55.38 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.543 2.402 . . . . 0.0 105.991 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.53 142.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.608 3.068 . . . . 0.0 109.064 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.81 36.61 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.224 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.289 -2.291 . . . . 0.0 108.472 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.244 4.09 . . . . 0.0 103.565 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 O-C-N 127.708 3.13 . . . . 0.0 111.201 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.04 144.47 37.71 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.145 -2.298 . . . . 0.0 106.314 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.36 39.23 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.571 2.181 . . . . 0.0 111.978 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.14 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.88 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.49 47.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.878 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.37 21.23 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.17 -37.33 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.223 2.827 . . . . 0.0 110.372 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.44 79.1 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.295 -0.878 . . . . 0.0 110.727 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.51 87.03 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 124.323 1.049 . . . . 0.0 111.525 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 125.117 1.511 . . . . 0.0 109.331 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.98 83.86 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.22 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.987 0.358 . . . . 0.0 111.199 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 120.41 -1.431 . . . . 0.0 110.797 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.56 79.41 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.494 2.569 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.688 -1.597 . . . . 0.0 111.787 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.38 17.96 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.08 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 123.079 2.672 . . . . 0.0 113.972 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.284 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.37 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.02 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.29 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.177 2.584 . . . . 0.0 110.919 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.12 92.55 Favored 'Trans proline' 0 C--O 1.262 1.713 0 C-N-CA 120.694 0.929 . . . . 0.0 113.381 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.52 63.61 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.965 -1.71 . . . . 0.0 112.175 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.477 -1.39 . . . . 0.0 112.04 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.271 1.986 . . . . 0.0 115.616 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.89 23.88 Favored 'General case' 0 C--O 1.295 3.483 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.28 50.91 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.434 1.015 . . . . 0.0 109.935 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.163 1.54 . . . . 0.0 111.898 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.68 18.92 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 112.225 -2.262 . . . . 0.0 110.78 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.01 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 128.368 2.89 . . . . 0.0 117.488 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.67 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.028 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.75 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.051 1.469 . . . . 0.0 109.974 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.89 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.68 3.585 . . . . 0.0 120.68 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.24 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.014 -1.874 . . . . 0.0 107.951 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.27 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.136 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.27 70.66 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.481 1.134 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.75 51.31 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.987 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.552 1.978 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.151 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.061 2.1 . . . . 0.0 109.531 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -54.79 143.05 26.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.227 1.489 . . . . 0.0 109.256 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.2 10.65 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.732 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.204 0 O-C-N 127.466 2.979 . . . . 0.0 105.87 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.835 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.508 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.96 28.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.225 0.535 . . . . 0.0 109.849 178.419 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.18 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.286 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.53 -179.51 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 126.989 2.681 . . . . 0.0 108.93 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.05 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.436 4.835 . . . . 0.0 108.793 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.24 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.479 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.5 41.24 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.453 4.221 . . . . 0.0 108.036 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.57 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.069 0.856 . . . . 0.0 112.591 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.819 -2.352 . . . . 0.0 112.051 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.52 80.36 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.148 -1.595 . . . . 0.0 116.196 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 126.649 2.468 . . . . 0.0 106.048 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.96 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 127.534 3.021 . . . . 0.0 109.058 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.221 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 115.348 -2.263 . . . . 0.0 108.414 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.42 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.255 4.097 . . . . 0.0 103.561 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.229 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.73 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.155 -2.293 . . . . 0.0 106.357 174.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.538 2.159 . . . . 0.0 111.975 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.888 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.878 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.4 21.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.31 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.132 2.77 . . . . 0.0 110.331 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.36 -0.838 . . . . 0.0 110.736 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.46 86.84 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 124.346 1.059 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.48 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.093 1.496 . . . . 0.0 109.318 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.96 83.67 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.762 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.1 87.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 118.027 0.376 . . . . 0.0 111.264 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.383 -1.448 . . . . 0.0 110.816 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.42 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.28 -48.57 79.32 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.473 2.559 . . . . 0.0 108.985 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.72 66.52 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.767 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.95 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.127 2.694 . . . . 0.0 113.952 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.79 83.48 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.83 -1.148 . . . . 0.0 110.999 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.5 Favored 'Trans proline' 0 C--O 1.259 1.564 0 C-N-CA 123.109 2.539 . . . . 0.0 110.933 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.1 92.59 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 120.703 0.936 . . . . 0.0 113.384 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 120.004 -1.685 . . . . 0.0 112.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.9 -10.43 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.52 -1.363 . . . . 0.0 112.005 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.344 2.021 . . . . 0.0 115.657 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.53 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.437 1.017 . . . . 0.0 109.974 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.142 1.526 . . . . 0.0 111.9 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.64 18.9 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.52 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.817 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.52 61.0 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.354 2.883 . . . . 0.0 117.511 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 174.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.788 -1.101 . . . . 0.0 109.988 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.73 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.062 1.476 . . . . 0.0 109.949 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.17 29.32 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.89 85.19 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.53 17.07 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 119.989 -1.889 . . . . 0.0 107.975 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.63 11.61 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.27 79.42 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.311 -1.756 . . . . 0.0 112.205 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.34 70.53 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.494 1.14 . . . . 0.0 110.712 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.67 51.43 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.964 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.43 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.559 1.981 . . . . 0.0 111.162 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.37 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.164 -2.35 . . . . 0.0 106.208 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 0.0 109.517 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.416 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 22.1 pttp -54.73 143.02 26.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.21 1.481 . . . . 0.0 109.236 -176.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.14 10.61 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 118.272 -0.871 . . . . 0.0 108.679 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.709 -2.567 . . . . 0.0 105.715 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 127.397 2.936 . . . . 0.0 105.865 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.501 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.491 . . . . 0.0 109.877 178.439 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.72 34.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.265 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.492 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.991 2.682 . . . . 0.0 108.901 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.14 49.53 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.478 4.861 . . . . 0.0 108.749 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 113.419 -3.182 . . . . 0.0 105.514 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.06 127.52 41.18 Favored 'General case' 0 N--CA 1.505 2.277 1 O-C-N 129.379 4.175 . . . . 0.0 108.007 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.71 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.028 0.83 . . . . 0.0 112.592 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.832 -2.347 . . . . 0.0 111.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.182 -1.574 . . . . 0.0 116.116 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.82 55.32 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.613 2.445 . . . . 0.0 106.0 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.96 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.596 3.06 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.76 36.71 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.211 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.01 44.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.406 -2.235 . . . . 0.0 108.463 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.5 2.033 1 O-C-N 129.167 4.042 . . . . 0.0 103.572 174.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.62 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.195 0 O-C-N 127.698 3.124 . . . . 0.0 111.22 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 112.183 -2.28 . . . . 0.0 106.316 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.5 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 122.566 2.178 . . . . 0.0 112.013 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.82 -8.17 59.12 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.87 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.898 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.185 2.803 . . . . 0.0 110.365 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.47 79.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.354 -0.841 . . . . 0.0 110.735 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.03 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.342 1.057 . . . . 0.0 111.474 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.059 1.474 . . . . 0.0 109.329 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.97 83.65 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.29 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 118.006 0.366 . . . . 0.0 111.201 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.363 -1.461 . . . . 0.0 110.796 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.16 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.512 2.577 . . . . 0.0 109.031 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.71 66.45 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.77 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.09 2.677 . . . . 0.0 113.959 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.46 90.1 Favored Glycine 0 CA--C 1.478 -2.261 0 N-CA-C 118.849 2.299 . . . . 0.0 118.849 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.042 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.89 79.31 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.097 2.531 . . . . 0.0 110.914 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.71 Favored 'Trans proline' 0 C--O 1.261 1.665 0 C-N-CA 120.684 0.923 . . . . 0.0 113.486 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.976 -1.702 . . . . 0.0 112.237 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.78 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.474 -1.392 . . . . 0.0 112.052 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.7 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.624 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.96 24.02 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.25 51.02 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.48 1.036 . . . . 0.0 109.99 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.89 72.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.115 1.51 . . . . 0.0 111.893 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.31 129.66 18.85 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.01 19.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.783 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.53 61.07 Favored Glycine 0 N--CA 1.432 -1.568 0 C-N-CA 128.335 2.874 . . . . 0.0 117.519 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 103.773 -2.677 . . . . 0.0 103.773 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.35 37.43 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.007 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 139.99 36.7 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 125.025 1.453 . . . . 0.0 109.955 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.21 29.7 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.89 85.24 Favored Glycine 0 CA--C 1.492 -1.404 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.6 16.98 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.99 -1.888 . . . . 0.0 108.003 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.23 79.41 Favored 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.268 2.063 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.158 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.29 70.49 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.415 1.102 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.71 51.37 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.35 18.55 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 121.574 1.988 . . . . 0.0 111.216 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.47 30.41 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 CA-C-O 115.136 -2.364 . . . . 0.0 106.19 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.047 2.092 . . . . 0.0 109.482 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.583 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.197 1.475 . . . . 0.0 109.299 -176.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.668 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 114.679 -2.582 . . . . 0.0 105.733 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 127.451 2.97 . . . . 0.0 105.874 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.463 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 175.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.147 0.499 . . . . 0.0 109.842 178.445 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.21 38.14 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.306 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.484 -179.812 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.26 31.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 127.006 2.691 . . . . 0.0 108.909 178.338 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.456 4.847 . . . . 0.0 108.807 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.531 175.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.387 4.179 . . . . 0.0 108.072 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.77 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.078 0.861 . . . . 0.0 112.581 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 115.771 -2.372 . . . . 0.0 111.948 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.622 0 O-C-N 120.127 -1.608 . . . . 0.0 116.135 179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.582 2.426 . . . . 0.0 106.025 176.161 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.547 3.029 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.82 36.62 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.289 -1.764 . . . . 0.0 108.215 178.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.425 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.27 44.61 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 129.209 4.068 . . . . 0.0 103.542 174.023 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.59 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.675 3.109 . . . . 0.0 111.194 -177.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.55 37.7 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.282 174.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.47 39.61 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.585 2.19 . . . . 0.0 111.961 177.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.873 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.876 -179.032 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.43 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.171 2.794 . . . . 0.0 110.376 175.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.327 -0.858 . . . . 0.0 110.691 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.43 86.88 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.35 1.06 . . . . 0.0 111.492 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.016 1.447 . . . . 0.0 109.299 178.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.93 83.62 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.05 87.11 Favored 'General case' 0 C--O 1.279 2.606 0 CA-C-N 117.998 0.363 . . . . 0.0 111.241 176.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.32 87.04 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.38 -1.45 . . . . 0.0 110.784 176.044 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.4 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.476 2.56 . . . . 0.0 109.012 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.719 179.139 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.656 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.169 2.713 . . . . 0.0 113.941 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.31 0 N-CA-C 118.881 2.312 . . . . 0.0 118.881 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.88 83.4 Favored Pre-proline 0 C--O 1.244 0.772 0 C-N-CA 118.827 -1.149 . . . . 0.0 111.011 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.68 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.119 2.546 . . . . 0.0 110.952 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.13 92.69 Favored 'Trans proline' 0 C--O 1.262 1.699 0 C-N-CA 120.687 0.925 . . . . 0.0 113.43 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.978 -1.702 . . . . 0.0 112.217 -177.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.56 28.66 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 120.495 -1.378 . . . . 0.0 112.011 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.303 2.002 . . . . 0.0 115.643 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.118 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.455 1.025 . . . . 0.0 109.961 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.153 1.533 . . . . 0.0 111.904 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.52 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.22 -2.264 . . . . 0.0 110.789 177.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.58 61.03 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.375 2.893 . . . . 0.0 117.503 -179.493 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.594 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.018 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.74 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.067 1.48 . . . . 0.0 109.922 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.2 29.84 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.724 3.601 . . . . 0.0 120.724 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -177.327 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.015 -1.873 . . . . 0.0 108.017 176.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.49 164.55 11.67 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.127 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.56 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.454 1.121 . . . . 0.0 110.737 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.994 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.5 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.586 1.994 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.36 30.18 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.111 -2.376 . . . . 0.0 106.235 175.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.08 2.112 . . . . 0.0 109.522 -176.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.79 143.05 26.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.215 1.484 . . . . 0.0 109.251 -176.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.12 10.61 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.54 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.75 52.29 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.66 19.08 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.731 174.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.67 135.83 46.37 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 127.481 2.988 . . . . 0.0 105.877 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.86 30.91 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.512 176.536 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.93 28.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.126 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.167 0.508 . . . . 0.0 109.837 178.457 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.84 31.66 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.267 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.513 -179.654 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 127.008 2.692 . . . . 0.0 108.866 178.365 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.362 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.471 4.857 . . . . 0.0 108.806 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.01 114.21 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.487 175.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.388 4.18 . . . . 0.0 108.058 -178.157 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.37 -6.99 49.76 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 112.599 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.799 -2.36 . . . . 0.0 112.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.5 80.32 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.146 -1.596 . . . . 0.0 116.121 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.04 34.43 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 174.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.81 55.37 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 126.587 2.429 . . . . 0.0 106.009 176.157 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.04 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 127.577 3.048 . . . . 0.0 109.037 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.75 36.74 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.01 44.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.44 -179.194 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.38 Favored 'General case' 0 N--CA 1.498 1.957 1 O-C-N 129.186 4.054 . . . . 0.0 103.597 173.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 O-C-N 127.657 3.098 . . . . 0.0 111.187 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.321 174.68 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.45 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.572 2.182 . . . . 0.0 111.932 177.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.12 59.12 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.899 -177.511 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.843 -179.037 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.44 21.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.173 2.796 . . . . 0.0 110.346 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.4 78.93 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.317 -0.865 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.51 86.7 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.325 1.05 . . . . 0.0 111.523 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.075 1.484 . . . . 0.0 109.299 178.513 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.92 83.67 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.787 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.99 86.94 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 118.027 0.376 . . . . 0.0 111.209 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 120.383 -1.448 . . . . 0.0 110.788 176.014 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.6 79.29 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.511 2.576 . . . . 0.0 109.028 179.5 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.77 66.46 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.642 -1.617 . . . . 0.0 111.758 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.44 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -175.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.49 -6.4 8.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.125 2.693 . . . . 0.0 113.984 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.828 2.291 . . . . 0.0 118.828 176.498 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.84 83.28 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.036 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.9 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.15 2.567 . . . . 0.0 110.894 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.711 0 O-C-N 122.862 0.927 . . . . 0.0 113.413 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 119.961 -1.712 . . . . 0.0 112.205 -177.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.45 28.89 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.451 -1.406 . . . . 0.0 111.989 178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.322 2.01 . . . . 0.0 115.638 -177.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.441 1.019 . . . . 0.0 109.933 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.16 1.537 . . . . 0.0 111.882 -177.535 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.47 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.04 19.44 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.264 -2.244 . . . . 0.0 110.785 177.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.34 2.876 . . . . 0.0 117.522 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.4 37.47 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.026 -175.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.71 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.061 1.475 . . . . 0.0 109.972 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.21 29.95 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.696 3.591 . . . . 0.0 120.696 -175.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.25 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.104 1.201 . . . . 0.0 116.104 -177.335 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 119.986 -1.891 . . . . 0.0 107.946 176.536 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.157 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.19 79.38 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.172 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.342 -1.743 . . . . 0.0 112.149 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.38 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.388 1.089 . . . . 0.0 110.641 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.73 51.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.989 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.33 18.52 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.557 1.98 . . . . 0.0 111.168 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.075 0 CA-C-O 115.142 -2.361 . . . . 0.0 106.137 175.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.084 2.115 . . . . 0.0 109.552 -176.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 0.5 OUTLIER -54.71 143.06 26.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 123.257 1.503 . . . . 0.0 109.28 -176.914 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.85 19.2 10.68 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.46 34.68 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.7 52.19 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.748 174.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 127.388 2.93 . . . . 0.0 105.862 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.571 -1.204 . . . . 0.0 111.507 176.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.113 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.187 0.518 . . . . 0.0 109.866 178.394 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.07 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.292 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.449 -179.415 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.31 31.7 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.972 2.67 . . . . 0.0 108.921 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.422 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.443 4.839 . . . . 0.0 108.773 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.16 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.514 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.53 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.386 4.179 . . . . 0.0 108.025 -178.136 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.62 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.994 0.809 . . . . 0.0 112.597 -177.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.05 30.06 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.802 -2.359 . . . . 0.0 112.011 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.099 -1.625 . . . . 0.0 116.122 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.74 55.36 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.637 2.461 . . . . 0.0 106.04 176.152 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 127.552 3.032 . . . . 0.0 109.003 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.68 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.317 -1.753 . . . . 0.0 108.217 178.12 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.24 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.436 -179.198 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.02 1 O-C-N 129.196 4.06 . . . . 0.0 103.548 173.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.63 15.72 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.668 3.105 . . . . 0.0 111.215 -177.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.345 174.674 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.48 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 122.562 2.174 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.843 -177.452 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.858 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.663 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 127.198 2.811 . . . . 0.0 110.362 175.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.401 -0.812 . . . . 0.0 110.724 177.04 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.48 86.87 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 124.307 1.043 . . . . 0.0 111.549 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.47 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.051 1.47 . . . . 0.0 109.329 178.498 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -38.0 83.86 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.791 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.97 87.0 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 118.021 0.373 . . . . 0.0 111.248 176.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.35 -37.3 87.03 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 120.377 -1.452 . . . . 0.0 110.81 176.017 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.56 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.54 79.6 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.579 2.609 . . . . 0.0 109.003 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.68 66.67 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.705 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.44 17.94 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.669 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.113 2.688 . . . . 0.0 113.962 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.066 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.92 79.57 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.121 2.548 . . . . 0.0 110.898 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 122.878 0.936 . . . . 0.0 113.448 -179.351 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.32 -15.51 63.59 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 119.983 -1.698 . . . . 0.0 112.216 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.42 28.96 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.504 -1.372 . . . . 0.0 112.047 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.289 1.995 . . . . 0.0 115.609 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 24.0 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.121 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.63 130.27 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.483 1.038 . . . . 0.0 109.952 -177.558 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 O-C-N 125.177 1.548 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.7 18.94 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.552 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.07 19.24 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 112.259 -2.246 . . . . 0.0 110.797 177.402 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.52 60.93 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.324 2.869 . . . . 0.0 117.474 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.024 -175.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.74 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.042 1.463 . . . . 0.0 109.924 -177.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.23 29.1 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.26 Favored Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.315 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.003 -1.881 . . . . 0.0 107.996 176.514 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.22 79.34 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.175 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.175 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.23 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.455 1.121 . . . . 0.0 110.747 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.977 179.314 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.38 18.51 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 121.521 1.964 . . . . 0.0 111.233 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.45 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.166 -2.35 . . . . 0.0 106.135 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 126.106 2.129 . . . . 0.0 109.482 -176.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -54.77 143.02 26.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.221 1.486 . . . . 0.0 109.273 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.21 10.65 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.56 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 118.275 -0.869 . . . . 0.0 108.688 175.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.61 19.15 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.721 175.045 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.352 2.908 . . . . 0.0 105.883 177.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.863 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.533 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.234 0.54 . . . . 0.0 109.787 178.487 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.25 32.51 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.251 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.45 -179.954 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 127.009 2.693 . . . . 0.0 108.921 178.325 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 173.397 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.23 49.46 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.472 4.857 . . . . 0.0 108.773 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.49 41.2 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.396 4.185 . . . . 0.0 108.034 -178.162 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.79 8.35 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.829 -1.082 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.98 49.85 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.036 0.835 . . . . 0.0 112.575 -177.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.97 30.3 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 115.844 -2.342 . . . . 0.0 112.02 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.37 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.171 -1.58 . . . . 0.0 116.077 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.09 34.35 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.76 55.29 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.616 2.447 . . . . 0.0 106.01 176.176 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.04 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.042 . . . . 0.0 109.055 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.81 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.236 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.04 44.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 115.352 -2.261 . . . . 0.0 108.429 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.38 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.233 4.083 . . . . 0.0 103.539 174.01 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.717 3.136 . . . . 0.0 111.191 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.303 174.727 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.04 -24.35 39.66 Favored 'Trans proline' 0 C--N 1.319 -0.98 0 C-N-CA 122.513 2.142 . . . . 0.0 111.971 177.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.12 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.901 -177.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.54 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.304 -1.759 . . . . 0.0 109.883 -179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.742 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.244 2.84 . . . . 0.0 110.328 175.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.43 79.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.393 -0.817 . . . . 0.0 110.751 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.48 86.95 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 124.324 1.05 . . . . 0.0 111.5 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.48 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 125.006 1.441 . . . . 0.0 109.335 178.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.03 83.82 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.731 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.24 Favored 'General case' 0 C--O 1.279 2.611 0 CA-C-N 118.025 0.375 . . . . 0.0 111.196 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -37.42 87.41 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.415 -1.428 . . . . 0.0 110.802 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.48 77.57 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.26 -48.54 79.48 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 125.494 2.569 . . . . 0.0 108.996 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.57 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.745 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.95 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.34 8.08 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.09 2.677 . . . . 0.0 113.94 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.35 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.03 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.574 0 C-N-CA 123.117 2.545 . . . . 0.0 110.91 178.269 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.09 92.52 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 122.857 0.925 . . . . 0.0 113.386 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.55 63.61 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 119.937 -1.727 . . . . 0.0 112.184 -177.419 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.5 28.8 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.481 -1.387 . . . . 0.0 112.066 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.267 1.984 . . . . 0.0 115.667 -177.673 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.93 23.93 Favored 'General case' 0 C--O 1.295 3.5 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 172.063 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.55 130.29 50.93 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.411 1.005 . . . . 0.0 109.978 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.168 1.543 . . . . 0.0 111.906 -177.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.89 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.04 19.58 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.223 -2.262 . . . . 0.0 110.752 177.365 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.335 2.874 . . . . 0.0 117.516 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.34 34.59 Favored 'General case' 0 C--O 1.259 1.605 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 174.541 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.33 37.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.03 -175.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.72 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.078 1.486 . . . . 0.0 109.937 -177.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.29 29.04 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.82 85.35 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.287 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.57 165.64 16.9 Favored 'General case' 0 C--O 1.251 1.135 0 O-C-N 120.001 -1.882 . . . . 0.0 108.006 176.518 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 177.161 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.15 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.155 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.134 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.32 70.6 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.51 1.148 . . . . 0.0 110.77 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.985 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.35 18.44 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 121.536 1.971 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.187 175.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.54 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.073 2.108 . . . . 0.0 109.505 -176.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -54.78 143.06 26.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.226 1.489 . . . . 0.0 109.242 -176.903 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.13 10.63 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.57 34.44 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.68 19.06 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.657 -2.592 . . . . 0.0 105.759 174.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.239 0 O-C-N 127.431 2.957 . . . . 0.0 105.857 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.786 0 CA-C-O 117.604 -1.188 . . . . 0.0 111.545 176.567 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.618 -2.734 . . . . 0.0 103.618 175.143 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.138 0.494 . . . . 0.0 109.865 178.459 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.05 35.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.325 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.493 -178.087 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.26 31.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 126.981 2.675 . . . . 0.0 108.916 178.355 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.369 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.665 1 O-C-N 130.457 4.848 . . . . 0.0 108.794 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.52 175.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.49 41.24 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.428 4.205 . . . . 0.0 108.062 -178.171 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.8 8.35 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.0 49.94 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.106 0.879 . . . . 0.0 112.614 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 115.822 -2.351 . . . . 0.0 111.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.108 -1.62 . . . . 0.0 116.132 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.578 2.424 . . . . 0.0 106.002 176.181 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.96 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.571 3.045 . . . . 0.0 109.027 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.237 -1.785 . . . . 0.0 108.252 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 115.38 -2.247 . . . . 0.0 108.456 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.5 Favored 'General case' 0 N--CA 1.499 2.022 1 O-C-N 129.2 4.062 . . . . 0.0 103.575 173.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.747 3.154 . . . . 0.0 111.214 -177.872 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.5 37.65 Favored Pre-proline 0 C--N 1.313 -0.991 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.327 174.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.48 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.565 2.176 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.2 59.16 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.913 -177.484 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.53 47.49 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.908 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.43 21.18 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 127.165 2.791 . . . . 0.0 110.374 175.786 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.46 79.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 176.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.95 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.331 1.052 . . . . 0.0 111.534 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.108 1.505 . . . . 0.0 109.362 178.515 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.94 83.63 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.26 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-N 117.974 0.352 . . . . 0.0 111.243 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.35 87.18 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 120.34 -1.475 . . . . 0.0 110.776 176.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.46 77.48 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.57 79.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.512 2.577 . . . . 0.0 109.035 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.77 66.58 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.765 179.14 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.676 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.5 -6.42 8.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.13 2.695 . . . . 0.0 114.009 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.14 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.891 2.316 . . . . 0.0 118.891 176.528 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.64 124.84 83.49 Favored Pre-proline 0 C--O 1.243 0.715 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.989 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.95 79.76 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.124 2.549 . . . . 0.0 110.967 178.163 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.29 -32.09 92.73 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.851 0.921 . . . . 0.0 113.44 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.902 -1.749 . . . . 0.0 112.175 -177.427 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.535 -1.353 . . . . 0.0 112.034 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.292 1.996 . . . . 0.0 115.646 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.128 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.22 50.97 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.453 1.024 . . . . 0.0 110.018 -177.597 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 125.127 1.517 . . . . 0.0 111.879 -177.439 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 177.563 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.04 19.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 112.249 -2.251 . . . . 0.0 110.739 177.347 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.55 60.94 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.355 2.883 . . . . 0.0 117.524 -179.494 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.652 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 103.814 -2.662 . . . . 0.0 103.814 174.51 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.33 37.53 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.033 -175.922 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 125.02 1.45 . . . . 0.0 109.946 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.14 -42.19 28.73 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.23 Favored Glycine 0 CA--C 1.491 -1.426 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.365 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 120.045 -1.856 . . . . 0.0 108.012 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.114 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.27 -36.16 79.26 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.338 -1.745 . . . . 0.0 112.139 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.34 70.48 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.455 1.121 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.7 51.35 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.703 -1.142 . . . . 0.0 112.986 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 121.549 1.977 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.024 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.204 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.56 8.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 126.12 2.138 . . . . 0.0 109.488 -176.816 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.529 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -54.78 143.05 26.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 123.173 1.463 . . . . 0.0 109.273 -176.912 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.58 34.44 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.26 126.7 52.12 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 174.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.45 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.431 2.957 . . . . 0.0 105.874 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.573 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 175.193 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.194 0.521 . . . . 0.0 109.797 178.469 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.98 38.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 113.358 -3.211 . . . . 0.0 105.489 -179.291 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.946 2.654 . . . . 0.0 108.956 178.328 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.0 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.401 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.27 49.4 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.463 4.852 . . . . 0.0 108.821 179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.388 -3.196 . . . . 0.0 105.546 175.849 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.275 1 O-C-N 129.386 4.179 . . . . 0.0 108.049 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.96 49.6 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.055 0.847 . . . . 0.0 112.592 -177.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.845 -2.342 . . . . 0.0 111.952 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.44 80.36 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.135 -1.603 . . . . 0.0 116.164 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 174.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 126.642 2.464 . . . . 0.0 106.047 176.147 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.638 3.086 . . . . 0.0 109.058 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.76 36.64 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.218 -1.793 . . . . 0.0 108.237 178.142 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.01 44.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.26 44.58 Favored 'General case' 0 N--CA 1.499 1.995 1 O-C-N 129.194 4.058 . . . . 0.0 103.539 173.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.63 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 O-C-N 127.697 3.123 . . . . 0.0 111.205 -177.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.46 37.62 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.171 -2.286 . . . . 0.0 106.312 174.694 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.35 39.37 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.524 2.149 . . . . 0.0 111.987 177.685 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.889 -177.517 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.54 47.44 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.835 -179.073 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.46 21.24 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.31 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.134 2.771 . . . . 0.0 110.419 175.748 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.51 79.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.342 -0.849 . . . . 0.0 110.763 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.18 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.306 1.042 . . . . 0.0 111.524 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.093 1.495 . . . . 0.0 109.322 178.539 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.91 Favored 'General case' 0 C--O 1.255 1.383 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.944 0.338 . . . . 0.0 111.212 176.886 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.424 -1.422 . . . . 0.0 110.77 176.011 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.56 79.44 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.512 2.577 . . . . 0.0 108.991 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.72 66.37 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.781 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.679 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.39 8.11 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.101 2.682 . . . . 0.0 113.957 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.37 90.12 Favored Glycine 0 CA--C 1.477 -2.323 0 N-CA-C 118.895 2.318 . . . . 0.0 118.895 176.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 118.843 -1.143 . . . . 0.0 111.014 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.03 136.98 79.89 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.187 2.591 . . . . 0.0 110.907 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.21 92.9 Favored 'Trans proline' 0 C--O 1.261 1.674 0 C-N-CA 120.703 0.935 . . . . 0.0 113.42 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.974 -1.703 . . . . 0.0 112.202 -177.422 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.495 -1.378 . . . . 0.0 112.021 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 124.297 1.998 . . . . 0.0 115.645 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 172.086 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 50.98 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 119.467 1.031 . . . . 0.0 109.993 -177.52 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.8 72.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 125.166 1.541 . . . . 0.0 111.902 -177.495 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.66 18.96 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.786 177.368 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.58 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.371 2.891 . . . . 0.0 117.536 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.485 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.43 37.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.786 -1.102 . . . . 0.0 110.006 -175.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.73 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.063 1.477 . . . . 0.0 109.936 -177.712 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.23 29.91 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.662 3.578 . . . . 0.0 120.662 -175.781 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.3 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.61 16.98 Favored 'General case' 0 C--O 1.25 1.124 0 O-C-N 120.016 -1.873 . . . . 0.0 108.016 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.24 79.37 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.163 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.57 70.75 Favored 'General case' 0 C--O 1.268 2.046 0 C-N-CA 117.339 -1.744 . . . . 0.0 112.116 -179.479 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.27 70.68 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.505 1.145 . . . . 0.0 110.713 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.967 179.315 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.35 18.46 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.545 1.975 . . . . 0.0 111.173 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.45 30.39 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 CA-C-O 115.099 -2.381 . . . . 0.0 106.2 175.822 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.077 2.111 . . . . 0.0 109.51 -176.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 143.02 26.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 123.198 1.475 . . . . 0.0 109.268 -176.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.51 34.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.784 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.69 52.17 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.67 19.07 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.697 -2.573 . . . . 0.0 105.704 174.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.78 46.44 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.442 2.964 . . . . 0.0 105.871 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.809 0 CA-C-O 117.586 -1.197 . . . . 0.0 111.531 176.572 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.607 -2.738 . . . . 0.0 103.607 175.103 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 178.461 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.35 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.498 -179.815 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.954 2.659 . . . . 0.0 108.951 178.273 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.407 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.23 49.44 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.46 4.85 . . . . 0.0 108.81 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.14 114.25 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.431 -3.176 . . . . 0.0 105.501 175.847 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.45 41.25 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.406 4.191 . . . . 0.0 108.042 -178.117 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.8 8.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.53 -6.91 49.47 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 124.061 0.851 . . . . 0.0 112.601 -177.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.803 -2.359 . . . . 0.0 112.003 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.583 0 O-C-N 120.15 -1.594 . . . . 0.0 116.116 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.09 34.4 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.74 55.32 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.641 2.463 . . . . 0.0 106.028 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 127.62 3.075 . . . . 0.0 109.06 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.81 36.57 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.268 178.123 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.0 44.31 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.359 -2.257 . . . . 0.0 108.432 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.223 4.077 . . . . 0.0 103.565 174.003 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.04 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 O-C-N 127.691 3.119 . . . . 0.0 111.181 -177.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.55 37.86 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.133 -2.303 . . . . 0.0 106.306 174.71 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.533 2.155 . . . . 0.0 111.98 177.685 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.15 59.12 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.922 -177.534 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.87 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.37 21.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.17 2.794 . . . . 0.0 110.311 175.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.375 -0.828 . . . . 0.0 110.751 176.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.41 87.05 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.301 1.04 . . . . 0.0 111.531 -179.641 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 178.498 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.87 -37.88 83.65 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.01 86.96 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 117.987 0.358 . . . . 0.0 111.225 176.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.422 -1.424 . . . . 0.0 110.816 176.019 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.52 77.61 Favored 'Isoleucine or valine' 0 C--O 1.253 1.252 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.62 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.458 2.552 . . . . 0.0 108.973 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.74 66.49 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.694 179.189 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.47 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 -175.656 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 123.092 2.678 . . . . 0.0 113.947 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.34 90.13 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.838 2.295 . . . . 0.0 118.838 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.36 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.763 -1.175 . . . . 0.0 111.01 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.93 79.62 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.106 2.538 . . . . 0.0 110.936 178.207 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.662 0 O-C-N 122.872 0.933 . . . . 0.0 113.421 -179.313 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.948 -1.72 . . . . 0.0 112.21 -177.473 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.44 28.86 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.527 -1.358 . . . . 0.0 112.048 178.693 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.88 129.77 34.76 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.308 2.004 . . . . 0.0 115.615 -177.664 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.98 24.0 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 172.097 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.26 51.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.443 1.02 . . . . 0.0 110.009 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.188 1.555 . . . . 0.0 111.891 -177.43 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.92 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.03 19.38 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.262 -2.244 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.5 61.05 Favored Glycine 0 N--CA 1.432 -1.587 0 C-N-CA 128.34 2.876 . . . . 0.0 117.503 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.688 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.557 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.086 -175.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.109 1.506 . . . . 0.0 109.976 -177.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.21 29.88 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.73 3.604 . . . . 0.0 120.73 -175.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.32 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 -177.353 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.63 16.96 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 119.962 -1.905 . . . . 0.0 107.973 176.518 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.64 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.119 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.19 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.136 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.82 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.356 -1.738 . . . . 0.0 112.164 -179.441 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 122.45 1.119 . . . . 0.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.47 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.976 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.39 18.36 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 121.543 1.974 . . . . 0.0 111.179 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.37 30.23 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.169 -2.348 . . . . 0.0 106.194 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.086 2.116 . . . . 0.0 109.533 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.421 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 38.9 ttpt -54.79 143.02 26.84 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.215 1.483 . . . . 0.0 109.262 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.55 34.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.722 174.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.76 46.45 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 127.405 2.94 . . . . 0.0 105.871 177.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.82 30.84 Favored 'General case' 0 C--O 1.283 2.829 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.51 176.552 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.121 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.186 0.517 . . . . 0.0 109.846 178.389 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.7 36.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.237 0 CA-C-O 113.381 -3.2 . . . . 0.0 105.501 -179.791 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 126.987 2.679 . . . . 0.0 108.964 178.303 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.21 162.98 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 CA-C-O 115.941 -1.98 . . . . 0.0 105.662 173.377 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.18 49.47 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.486 4.866 . . . . 0.0 108.816 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.484 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.366 4.166 . . . . 0.0 108.077 -178.208 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.54 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.049 0.843 . . . . 0.0 112.608 -177.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.06 30.03 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.779 -2.368 . . . . 0.0 111.967 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.619 0 O-C-N 120.144 -1.597 . . . . 0.0 116.121 179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.35 138.11 34.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.76 55.31 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.617 2.448 . . . . 0.0 106.034 176.151 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.97 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.609 3.068 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.249 -1.78 . . . . 0.0 108.254 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 115.315 -2.279 . . . . 0.0 108.464 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.26 4.1 . . . . 0.0 103.601 173.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.68 15.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.746 3.154 . . . . 0.0 111.188 -177.882 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.314 174.748 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.45 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.611 2.207 . . . . 0.0 111.978 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.906 -177.487 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.59 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.876 -179.063 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.43 21.27 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.682 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.19 2.806 . . . . 0.0 110.356 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.41 79.32 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.347 -0.845 . . . . 0.0 110.717 177.031 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.53 86.94 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 124.384 1.074 . . . . 0.0 111.48 -179.628 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 125.058 1.474 . . . . 0.0 109.266 178.53 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.71 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.802 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.23 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 117.94 0.336 . . . . 0.0 111.237 176.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.434 -1.416 . . . . 0.0 110.799 176.036 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.47 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.186 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.55 79.52 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.531 2.586 . . . . 0.0 108.985 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.73 66.61 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 113.644 -1.616 . . . . 0.0 111.732 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.689 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.651 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.31 8.11 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.136 2.698 . . . . 0.0 113.963 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.528 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.32 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.784 -1.167 . . . . 0.0 110.985 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.258 1.525 0 C-N-CA 123.141 2.56 . . . . 0.0 110.928 178.196 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.12 92.7 Favored 'Trans proline' 0 C--O 1.261 1.673 0 C-N-CA 120.678 0.919 . . . . 0.0 113.428 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 119.999 -1.688 . . . . 0.0 112.183 -177.451 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.78 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.463 -1.398 . . . . 0.0 112.029 178.678 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.318 2.008 . . . . 0.0 115.635 -177.657 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.98 24.01 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.907 -2.256 . . . . 0.0 104.907 172.109 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.28 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.461 1.028 . . . . 0.0 109.993 -177.571 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.154 1.534 . . . . 0.0 111.926 -177.526 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.68 18.93 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.501 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.02 19.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.736 177.366 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.55 61.06 Favored Glycine 0 N--CA 1.432 -1.617 0 C-N-CA 128.387 2.899 . . . . 0.0 117.526 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.67 46.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.691 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 174.522 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.048 -175.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.0 36.77 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.053 1.471 . . . . 0.0 109.926 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.25 29.32 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 120.703 3.594 . . . . 0.0 120.703 -175.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.367 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.351 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 120.038 -1.86 . . . . 0.0 107.985 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.53 11.69 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.127 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.23 79.25 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.16 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.65 70.82 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.314 -1.755 . . . . 0.0 112.16 -179.449 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.46 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.415 1.102 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.7 51.38 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.953 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.34 18.43 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 121.558 1.981 . . . . 0.0 111.196 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.056 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.21 175.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.099 2.124 . . . . 0.0 109.522 -176.811 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -54.76 143.02 26.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.235 1.493 . . . . 0.0 109.24 -176.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.18 10.61 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 174.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.71 52.15 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.052 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.74 46.49 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.437 2.961 . . . . 0.0 105.89 177.896 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.89 Favored 'General case' 0 C--O 1.282 2.807 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.487 176.556 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.096 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.194 0.521 . . . . 0.0 109.827 178.453 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.38 36.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.26 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.494 179.693 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.99 2.681 . . . . 0.0 108.946 178.313 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 CA-C-O 115.947 -1.978 . . . . 0.0 105.671 173.371 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.505 4.878 . . . . 0.0 108.776 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.499 175.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.406 4.192 . . . . 0.0 108.042 -178.157 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.79 8.36 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.795 -1.097 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.94 49.62 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.082 0.864 . . . . 0.0 112.609 -178.009 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 115.839 -2.344 . . . . 0.0 111.986 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.51 80.29 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.092 -1.63 . . . . 0.0 116.118 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.07 34.46 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.79 55.33 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 126.626 2.454 . . . . 0.0 106.019 176.165 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.642 3.089 . . . . 0.0 109.007 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.63 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 117.271 -1.772 . . . . 0.0 108.192 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.463 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.188 4.055 . . . . 0.0 103.577 174.014 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.66 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.661 3.101 . . . . 0.0 111.231 -177.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.71 Favored Pre-proline 0 C--N 1.314 -0.977 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.317 174.706 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.5 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.539 2.159 . . . . 0.0 111.934 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.92 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.51 47.44 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.864 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.32 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 127.258 2.849 . . . . 0.0 110.362 175.758 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.49 78.95 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.327 -0.858 . . . . 0.0 110.663 177.021 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.47 87.23 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.3 1.04 . . . . 0.0 111.515 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.096 1.498 . . . . 0.0 109.32 178.503 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.01 83.79 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.35 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 117.985 0.357 . . . . 0.0 111.226 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.33 87.09 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 120.363 -1.461 . . . . 0.0 110.797 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.05 -39.43 77.27 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.15 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.531 2.586 . . . . 0.0 109.026 179.477 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.44 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.724 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.34 17.94 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -175.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.081 2.673 . . . . 0.0 113.956 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.36 90.15 Favored Glycine 0 CA--C 1.478 -2.245 0 N-CA-C 118.864 2.305 . . . . 0.0 118.864 176.515 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.9 83.37 Favored Pre-proline 0 C--O 1.243 0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.045 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.572 0 C-N-CA 123.151 2.568 . . . . 0.0 110.913 178.264 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.693 0 C-N-CA 120.675 0.917 . . . . 0.0 113.463 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.789 0 O-C-N 120.01 -1.681 . . . . 0.0 112.224 -177.466 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.46 28.83 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.478 -1.389 . . . . 0.0 112.011 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.304 2.002 . . . . 0.0 115.64 -177.63 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.295 3.496 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 172.084 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.26 50.98 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.464 1.029 . . . . 0.0 109.988 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.189 1.556 . . . . 0.0 111.904 -177.527 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.508 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.53 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.738 177.349 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.551 0 C-N-CA 128.328 2.87 . . . . 0.0 117.48 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.694 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.41 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.049 -175.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 125.038 1.461 . . . . 0.0 109.982 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.87 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.834 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.88 85.2 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.328 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.62 17.01 Favored 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.031 -1.864 . . . . 0.0 107.98 176.531 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.55 11.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.19 79.15 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.187 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.57 70.72 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 117.337 -1.745 . . . . 0.0 112.166 -179.491 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.36 70.51 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.66 51.42 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.01 179.263 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.35 18.29 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 121.541 1.973 . . . . 0.0 111.216 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.148 -2.358 . . . . 0.0 106.182 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.51 8.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.081 2.113 . . . . 0.0 109.515 -176.811 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -54.7 143.02 26.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.232 1.491 . . . . 0.0 109.284 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 179.496 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.65 52.08 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 175.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.6 19.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.717 -2.564 . . . . 0.0 105.689 174.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.4 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 127.42 2.95 . . . . 0.0 105.864 177.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.472 176.622 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.592 -2.744 . . . . 0.0 103.592 175.1 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.158 0.504 . . . . 0.0 109.832 178.441 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.03 32.83 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.245 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.462 -179.656 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.22 31.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 126.943 2.652 . . . . 0.0 108.901 178.322 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.513 2.705 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.555 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.511 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.505 2.281 1 O-C-N 129.413 4.196 . . . . 0.0 108.008 -178.108 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -7.0 49.89 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.05 0.844 . . . . 0.0 112.602 -177.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.23 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 115.814 -2.354 . . . . 0.0 112.023 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.4 80.4 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.122 -1.611 . . . . 0.0 116.129 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.21 138.09 34.33 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.66 2.475 . . . . 0.0 105.993 176.155 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 127.626 3.079 . . . . 0.0 109.028 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.79 36.62 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.256 178.087 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.98 44.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.158 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.29 44.66 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 129.188 4.055 . . . . 0.0 103.634 173.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.58 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.209 -177.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 112.11 -2.313 . . . . 0.0 106.317 174.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.42 39.59 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 122.59 2.193 . . . . 0.0 111.891 177.726 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.09 59.11 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.917 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.48 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.378 -1.729 . . . . 0.0 109.826 -179.021 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.42 21.21 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.636 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.186 2.804 . . . . 0.0 110.369 175.746 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.741 176.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.0 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.269 1.028 . . . . 0.0 111.504 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.44 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.043 1.464 . . . . 0.0 109.303 178.488 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.71 -38.03 83.7 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.21 Favored 'General case' 0 C--O 1.278 2.589 0 CA-C-N 118.032 0.378 . . . . 0.0 111.224 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.09 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.432 -1.418 . . . . 0.0 110.785 176.061 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.51 77.5 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.56 79.48 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.559 2.599 . . . . 0.0 108.991 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.73 66.68 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.639 -1.618 . . . . 0.0 111.714 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.48 17.94 Favored 'General case' 0 C--O 1.279 2.648 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -175.591 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.39 8.12 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 123.1 2.682 . . . . 0.0 113.976 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.252 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.489 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.741 -1.183 . . . . 0.0 111.014 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.92 79.55 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.138 2.559 . . . . 0.0 110.908 178.204 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 120.684 0.923 . . . . 0.0 113.416 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.1 -15.65 63.68 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.954 -1.716 . . . . 0.0 112.179 -177.396 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.94 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.532 -1.355 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.289 1.995 . . . . 0.0 115.601 -177.656 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.521 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 172.077 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.3 50.97 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.461 1.028 . . . . 0.0 110.001 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.176 1.547 . . . . 0.0 111.897 -177.483 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 177.504 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.01 19.22 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.764 177.327 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.433 -1.566 0 C-N-CA 128.281 2.848 . . . . 0.0 117.557 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.61 46.4 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.724 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.28 34.61 Favored 'General case' 0 C--O 1.258 1.549 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.4 37.44 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.993 -175.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.98 36.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 125.132 1.52 . . . . 0.0 109.954 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.43 Favored 'General case' 0 C--O 1.265 1.919 0 N-CA-C 120.732 3.605 . . . . 0.0 120.732 -175.777 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.81 85.32 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.363 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.56 17.0 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 119.981 -1.894 . . . . 0.0 107.95 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.045 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.26 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.125 -179.477 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.35 70.61 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.465 1.126 . . . . 0.0 110.741 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.64 51.52 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 117.69 -1.148 . . . . 0.0 113.0 179.243 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.31 18.44 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 121.582 1.992 . . . . 0.0 111.212 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.38 Favored 'Isoleucine or valine' 0 C--O 1.269 2.088 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.203 175.827 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.08 2.112 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 52.1 tttm -54.76 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.203 1.478 . . . . 0.0 109.277 -176.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.11 10.65 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.05 159.5 34.61 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.688 -2.577 . . . . 0.0 105.695 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.77 46.38 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.488 2.992 . . . . 0.0 105.858 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.82 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.134 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.221 0.534 . . . . 0.0 109.821 178.451 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.1 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.16 36.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.272 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.509 -179.862 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.23 31.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.968 2.668 . . . . 0.0 108.923 178.341 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.07 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 173.41 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.434 4.834 . . . . 0.0 108.772 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.436 -3.173 . . . . 0.0 105.499 175.819 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.47 41.21 Favored 'General case' 0 N--CA 1.505 2.283 1 O-C-N 129.403 4.19 . . . . 0.0 108.075 -178.18 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.88 49.16 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.09 0.869 . . . . 0.0 112.589 -177.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.46 15.09 29.97 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 115.816 -2.354 . . . . 0.0 111.996 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.56 80.32 Favored Glycine 0 C--N 1.298 -1.573 0 O-C-N 120.175 -1.578 . . . . 0.0 116.076 179.742 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.03 34.49 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 174.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.75 55.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 126.6 2.438 . . . . 0.0 106.032 176.153 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.95 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.616 3.073 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.64 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.215 178.116 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 115.383 -2.246 . . . . 0.0 108.457 -179.213 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.44 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.188 4.055 . . . . 0.0 103.563 174.012 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.163 0 O-C-N 127.678 3.111 . . . . 0.0 111.189 -177.878 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.51 37.68 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.307 174.691 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.948 0 C-N-CA 122.563 2.175 . . . . 0.0 111.957 177.669 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.14 59.14 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.91 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.892 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.38 21.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.722 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.33 77.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.254 2.846 . . . . 0.0 110.409 175.75 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.41 78.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.364 -0.835 . . . . 0.0 110.727 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.84 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 111.524 -179.641 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.24 -46.47 88.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 125.065 1.478 . . . . 0.0 109.293 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.82 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.775 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.19 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 117.998 0.363 . . . . 0.0 111.225 176.858 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.46 -1.4 . . . . 0.0 110.813 176.051 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.51 79.59 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.519 2.581 . . . . 0.0 109.003 179.451 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.746 179.165 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.38 17.98 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.701 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.092 2.678 . . . . 0.0 113.95 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.3 90.16 Favored Glycine 0 CA--C 1.477 -2.327 0 N-CA-C 118.915 2.326 . . . . 0.0 118.915 176.538 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.006 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.168 2.579 . . . . 0.0 110.975 178.14 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.69 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.887 0.941 . . . . 0.0 113.398 -179.323 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.895 -1.753 . . . . 0.0 112.245 -177.456 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 120.48 -1.387 . . . . 0.0 112.06 178.66 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.75 34.78 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 124.291 1.996 . . . . 0.0 115.632 -177.643 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.533 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 172.109 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.27 50.98 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 119.476 1.034 . . . . 0.0 109.974 -177.555 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 125.144 1.527 . . . . 0.0 111.906 -177.503 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.63 18.89 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 177.481 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.24 -2.255 . . . . 0.0 110.769 177.386 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.04 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 128.386 2.898 . . . . 0.0 117.518 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.66 46.34 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.711 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.55 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 117.757 -1.116 . . . . 0.0 110.042 -175.915 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.99 36.77 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.051 1.469 . . . . 0.0 109.914 -177.695 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.27 29.24 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.733 3.605 . . . . 0.0 120.733 -175.863 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.9 85.22 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.287 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 119.978 -1.895 . . . . 0.0 107.98 176.558 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.121 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.23 79.32 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.183 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.178 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.34 70.66 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.454 1.121 . . . . 0.0 110.695 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.64 51.45 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.99 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.39 18.32 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 121.577 1.989 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.44 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.163 175.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.153 2.158 . . . . 0.0 109.489 -176.818 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -54.74 143.04 26.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.257 1.503 . . . . 0.0 109.213 -176.909 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.484 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.788 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.72 52.24 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.936 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.63 19.13 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 114.719 -2.563 . . . . 0.0 105.736 174.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.81 46.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.41 2.944 . . . . 0.0 105.858 177.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.618 -1.182 . . . . 0.0 111.521 176.56 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.566 -2.753 . . . . 0.0 103.566 175.118 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.237 0.541 . . . . 0.0 109.815 178.466 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.46 37.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.297 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.521 179.88 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.19 31.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.979 2.674 . . . . 0.0 108.956 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.01 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.353 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.43 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.492 4.87 . . . . 0.0 108.818 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.16 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.502 175.83 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.48 41.15 Favored 'General case' 0 N--CA 1.505 2.311 1 O-C-N 129.447 4.217 . . . . 0.0 108.016 -178.177 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.67 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.047 0.842 . . . . 0.0 112.624 -177.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.04 30.1 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 115.763 -2.375 . . . . 0.0 111.991 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.165 -1.584 . . . . 0.0 116.142 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.624 2.452 . . . . 0.0 106.013 176.154 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.605 3.066 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.75 36.65 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.199 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.03 44.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.373 -2.251 . . . . 0.0 108.45 -179.234 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.984 1 O-C-N 129.189 4.055 . . . . 0.0 103.564 174.025 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.62 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.677 3.111 . . . . 0.0 111.227 -177.906 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.6 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.351 174.671 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.42 39.23 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.576 2.184 . . . . 0.0 111.951 177.72 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.899 -177.502 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 117.344 -1.742 . . . . 0.0 109.914 -179.078 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.684 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.159 2.787 . . . . 0.0 110.363 175.759 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.38 79.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.316 -0.865 . . . . 0.0 110.704 177.026 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.4 87.0 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.251 1.02 . . . . 0.0 111.56 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.45 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.107 1.504 . . . . 0.0 109.323 178.5 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.92 83.62 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.08 87.29 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.88 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.373 -1.454 . . . . 0.0 110.799 176.02 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 125.556 2.598 . . . . 0.0 109.003 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.769 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.38 17.97 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.666 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.102 2.683 . . . . 0.0 113.984 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.44 90.07 Favored Glycine 0 CA--C 1.477 -2.33 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.524 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.028 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.91 79.33 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.134 2.556 . . . . 0.0 110.922 178.228 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.19 92.8 Favored 'Trans proline' 0 C--O 1.262 1.715 0 C-N-CA 120.704 0.936 . . . . 0.0 113.447 -179.366 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.61 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.939 -1.726 . . . . 0.0 112.184 -177.444 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.515 -1.366 . . . . 0.0 112.035 178.694 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.333 2.016 . . . . 0.0 115.602 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.529 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 172.065 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.23 51.0 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.477 1.035 . . . . 0.0 110.017 -177.559 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 O-C-N 125.191 1.557 . . . . 0.0 111.932 -177.509 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.431 -2.062 . . . . 0.0 105.431 177.528 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.97 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.318 -2.219 . . . . 0.0 110.74 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.52 61.02 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 128.376 2.893 . . . . 0.0 117.522 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -114.99 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.722 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.525 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.056 -175.903 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.115 1.509 . . . . 0.0 109.963 -177.725 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.2 29.33 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 120.683 3.586 . . . . 0.0 120.683 -175.79 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -8.79 85.29 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.329 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.044 -1.857 . . . . 0.0 108.017 176.483 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.112 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.25 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.124 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.03 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.178 -179.482 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.34 70.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.461 1.124 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.41 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.95 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 121.548 1.976 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.794 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.089 2.118 . . . . 0.0 109.472 -176.816 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.483 ' HE3' ' H ' ' B' ' 63' ' ' LYS . 49.2 tttm -54.74 143.03 26.56 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.247 1.499 . . . . 0.0 109.216 -176.904 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.797 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.14 126.72 52.28 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 175.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.721 175.048 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.76 46.46 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 127.452 2.97 . . . . 0.0 105.87 177.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.801 0 CA-C-O 117.614 -1.184 . . . . 0.0 111.545 176.566 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.156 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 109.851 178.431 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.293 0 CA-C-O 113.347 -3.216 . . . . 0.0 105.461 -178.667 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.976 2.672 . . . . 0.0 108.921 178.307 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 173.395 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.14 49.54 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.436 4.835 . . . . 0.0 108.814 179.567 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.19 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.49 175.868 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.51 41.19 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.449 4.218 . . . . 0.0 108.018 -178.16 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.96 49.72 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 124.068 0.855 . . . . 0.0 112.649 -177.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.96 30.34 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.839 -2.344 . . . . 0.0 112.023 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.49 80.29 Favored Glycine 0 C--N 1.297 -1.587 0 O-C-N 120.123 -1.611 . . . . 0.0 116.112 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.05 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 174.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.633 2.458 . . . . 0.0 105.998 176.165 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.95 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 127.589 3.056 . . . . 0.0 109.026 179.67 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.61 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.2 -1.8 . . . . 0.0 108.205 178.132 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 115.368 -2.253 . . . . 0.0 108.462 -179.225 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.42 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.156 4.035 . . . . 0.0 103.569 174.007 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.674 3.109 . . . . 0.0 111.202 -177.877 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.5 37.73 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.15 -2.296 . . . . 0.0 106.304 174.705 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.43 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 122.535 2.156 . . . . 0.0 111.978 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.911 -177.518 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.861 -179.063 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 175.684 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 127.222 2.826 . . . . 0.0 110.372 175.755 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.32 79.12 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.384 -0.823 . . . . 0.0 110.717 176.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.57 -44.44 86.7 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 124.32 1.048 . . . . 0.0 111.499 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.5 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.083 1.49 . . . . 0.0 109.331 178.523 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.95 83.6 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.79 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.622 0 CA-C-N 118.002 0.364 . . . . 0.0 111.223 176.84 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.31 87.03 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.36 -1.462 . . . . 0.0 110.795 176.042 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.54 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.59 79.4 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.02 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.775 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.41 17.95 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -175.663 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.54 -6.41 8.11 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.942 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.38 90.13 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.514 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.82 83.34 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.8 -1.16 . . . . 0.0 111.011 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.87 79.21 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.163 2.575 . . . . 0.0 110.865 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.15 92.64 Favored 'Trans proline' 0 C--O 1.261 1.651 0 C-N-CA 120.706 0.937 . . . . 0.0 113.411 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.62 63.65 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.948 -1.72 . . . . 0.0 112.239 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.48 28.95 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.504 -1.373 . . . . 0.0 112.031 178.704 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.261 1.982 . . . . 0.0 115.67 -177.697 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.91 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.149 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.436 1.016 . . . . 0.0 109.936 -177.509 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.8 72.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.158 1.536 . . . . 0.0 111.841 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.7 19.02 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.296 -2.229 . . . . 0.0 110.764 177.348 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.432 -1.613 0 C-N-CA 128.39 2.9 . . . . 0.0 117.523 -179.469 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.581 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.35 37.45 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.994 -175.856 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.76 139.98 36.66 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.08 1.487 . . . . 0.0 109.966 -177.772 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.64 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 -175.796 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.23 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.341 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 120.0 -1.882 . . . . 0.0 107.979 176.538 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.58 11.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.125 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.22 79.33 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.211 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.183 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.28 70.62 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.417 1.103 . . . . 0.0 110.692 179.779 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.64 51.5 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 117.684 -1.15 . . . . 0.0 112.96 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.31 18.39 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 121.55 1.977 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.47 30.39 Favored 'Isoleucine or valine' 0 C--O 1.267 2.019 0 CA-C-O 115.197 -2.335 . . . . 0.0 106.162 175.854 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 126.061 2.101 . . . . 0.0 109.515 -176.809 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 18.4 ptpt -54.74 143.03 26.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.158 1.456 . . . . 0.0 109.276 -176.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 179.493 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.811 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.64 52.04 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.67 19.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 114.734 -2.555 . . . . 0.0 105.708 175.0 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.79 46.43 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 127.411 2.944 . . . . 0.0 105.868 177.936 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.805 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.495 176.567 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.182 0.515 . . . . 0.0 109.853 178.423 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.62 37.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.468 -179.666 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.904 2.627 . . . . 0.0 108.974 178.241 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 162.97 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 173.416 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.472 4.858 . . . . 0.0 108.78 179.585 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.444 -3.169 . . . . 0.0 105.478 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.48 41.26 Favored 'General case' 0 N--CA 1.505 2.299 1 O-C-N 129.372 4.17 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.78 8.37 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.01 49.94 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 124.011 0.819 . . . . 0.0 112.569 -177.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.804 -2.358 . . . . 0.0 111.975 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.46 80.34 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.124 -1.61 . . . . 0.0 116.099 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.07 34.43 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.575 2.422 . . . . 0.0 106.081 176.147 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 127.547 3.029 . . . . 0.0 109.041 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.79 36.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.245 -1.782 . . . . 0.0 108.217 178.142 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.432 -179.183 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.24 44.53 Favored 'General case' 0 N--CA 1.498 1.967 1 O-C-N 129.161 4.038 . . . . 0.0 103.577 174.007 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 O-C-N 127.752 3.157 . . . . 0.0 111.226 -177.888 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.72 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.333 174.74 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.43 39.36 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.604 2.203 . . . . 0.0 111.902 177.73 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.93 -177.51 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.55 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.9 -179.093 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.43 21.2 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.709 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.25 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 127.213 2.82 . . . . 0.0 110.392 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.698 177.011 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 124.302 1.041 . . . . 0.0 111.49 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 125.055 1.472 . . . . 0.0 109.306 178.523 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.09 87.42 Favored 'General case' 0 C--O 1.28 2.664 0 CA-C-N 117.978 0.353 . . . . 0.0 111.252 176.861 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.39 87.3 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.366 -1.459 . . . . 0.0 110.781 176.013 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.54 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.35 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 125.531 2.586 . . . . 0.0 109.034 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.53 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.771 179.106 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -175.644 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.31 8.1 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 123.145 2.702 . . . . 0.0 113.976 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.44 90.1 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.561 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.8 83.36 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 123.14 2.56 . . . . 0.0 110.908 178.245 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.15 92.83 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.857 0.925 . . . . 0.0 113.449 -179.373 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 120.01 -1.681 . . . . 0.0 112.185 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.45 28.9 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.518 -1.364 . . . . 0.0 112.012 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.311 2.005 . . . . 0.0 115.579 -177.625 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.295 3.476 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.07 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.426 1.012 . . . . 0.0 109.999 -177.572 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.83 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.194 1.559 . . . . 0.0 111.873 -177.456 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.7 19.0 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.543 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.96 19.51 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.266 -2.243 . . . . 0.0 110.778 177.396 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.64 61.08 Favored Glycine 0 N--CA 1.433 -1.554 0 C-N-CA 128.36 2.886 . . . . 0.0 117.51 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.653 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.579 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.39 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.044 -175.917 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.0 36.78 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.093 1.496 . . . . 0.0 109.943 -177.746 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.16 29.92 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.721 3.601 . . . . 0.0 120.721 -175.868 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.9 85.2 Favored Glycine 0 CA--C 1.492 -1.376 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.301 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.6 17.03 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.017 -1.872 . . . . 0.0 107.976 176.547 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.61 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.166 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.21 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.212 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.049 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.158 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.3 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.437 1.113 . . . . 0.0 110.725 179.775 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.991 179.282 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.39 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 121.549 1.977 . . . . 0.0 111.189 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.32 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.119 -2.372 . . . . 0.0 106.174 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.137 2.148 . . . . 0.0 109.53 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.509 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.77 143.01 26.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 123.234 1.492 . . . . 0.0 109.217 -176.895 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.418 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.48 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.788 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.16 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.63 19.11 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 114.693 -2.575 . . . . 0.0 105.758 174.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.8 46.36 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.37 2.919 . . . . 0.0 105.886 177.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.816 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.535 176.578 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.143 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.181 0.515 . . . . 0.0 109.822 178.468 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.14 35.56 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.236 0 CA-C-O 113.421 -3.18 . . . . 0.0 105.522 -179.731 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.21 31.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 127.002 2.689 . . . . 0.0 108.911 178.35 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.439 4.837 . . . . 0.0 108.772 179.615 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.449 175.866 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.5 41.22 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.418 4.198 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.93 49.45 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.082 0.864 . . . . 0.0 112.606 -177.952 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.79 -2.364 . . . . 0.0 111.96 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.134 -1.604 . . . . 0.0 116.111 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.08 34.39 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.934 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.82 55.34 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 126.591 2.432 . . . . 0.0 106.052 176.154 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.567 3.042 . . . . 0.0 109.048 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.273 -1.771 . . . . 0.0 108.24 178.136 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.22 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.482 -179.247 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.215 4.072 . . . . 0.0 103.564 174.001 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.198 0 O-C-N 127.658 3.099 . . . . 0.0 111.243 -177.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.53 37.67 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.354 174.696 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.548 2.165 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.875 -177.511 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.822 -178.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.46 21.2 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 175.674 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.27 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.207 2.817 . . . . 0.0 110.383 175.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.39 79.13 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.379 -0.826 . . . . 0.0 110.74 176.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.42 87.09 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.338 1.055 . . . . 0.0 111.547 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 125.017 1.448 . . . . 0.0 109.332 178.525 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.89 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.772 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.28 Favored 'General case' 0 C--O 1.278 2.593 0 CA-C-N 118.029 0.377 . . . . 0.0 111.227 176.86 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.28 86.93 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 120.403 -1.436 . . . . 0.0 110.818 176.039 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.55 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.67 79.06 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.537 2.589 . . . . 0.0 109.005 179.487 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.73 66.33 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.727 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.42 17.92 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.66 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 123.139 2.699 . . . . 0.0 113.965 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.511 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.021 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.567 0 C-N-CA 123.186 2.591 . . . . 0.0 110.933 178.242 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.76 Favored 'Trans proline' 0 C--O 1.263 1.73 0 C-N-CA 120.67 0.914 . . . . 0.0 113.432 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.969 -1.707 . . . . 0.0 112.204 -177.455 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.43 28.87 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.448 -1.407 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 124.32 2.01 . . . . 0.0 115.681 -177.691 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.91 23.88 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.151 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.404 1.002 . . . . 0.0 109.987 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 O-C-N 125.174 1.546 . . . . 0.0 111.872 -177.46 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.74 19.0 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.552 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.97 19.46 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.265 -2.243 . . . . 0.0 110.782 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.406 2.908 . . . . 0.0 117.515 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.72 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.594 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.512 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.704 -1.141 . . . . 0.0 110.049 -175.909 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 140.02 36.66 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 125.113 1.508 . . . . 0.0 109.964 -177.751 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.22 30.17 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.825 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.965 -1.903 . . . . 0.0 108.035 176.484 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.178 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.131 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.186 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.467 1.127 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.942 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.31 18.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.554 1.979 . . . . 0.0 111.182 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.14 -2.362 . . . . 0.0 106.175 175.841 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.091 2.12 . . . . 0.0 109.476 -176.784 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.48 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 20.9 pttp -54.77 143.0 26.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 123.222 1.487 . . . . 0.0 109.237 -176.907 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.19 10.64 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.455 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.54 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.742 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.72 52.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.005 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.65 19.11 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.735 174.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.409 2.943 . . . . 0.0 105.866 177.921 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.634 -1.174 . . . . 0.0 111.505 176.54 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.078 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.159 0.504 . . . . 0.0 109.829 178.451 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 136.04 37.03 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.297 0 CA-C-O 113.425 -3.178 . . . . 0.0 105.513 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.946 2.654 . . . . 0.0 108.932 178.348 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.427 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.635 1 O-C-N 130.456 4.848 . . . . 0.0 108.767 179.581 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.507 175.836 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.47 41.18 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.44 4.212 . . . . 0.0 108.09 -178.166 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.856 -1.069 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.99 49.84 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.016 0.822 . . . . 0.0 112.567 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.96 30.33 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.781 -2.368 . . . . 0.0 112.016 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.611 0 O-C-N 120.126 -1.609 . . . . 0.0 116.163 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.41 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 175.054 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.74 55.31 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 126.636 2.46 . . . . 0.0 106.019 176.121 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.043 . . . . 0.0 109.062 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.75 36.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.261 -1.776 . . . . 0.0 108.226 178.147 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.347 -2.263 . . . . 0.0 108.476 -179.213 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.192 4.057 . . . . 0.0 103.622 173.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.717 3.135 . . . . 0.0 111.231 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.44 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.581 2.187 . . . . 0.0 111.919 177.74 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.15 59.13 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.876 -177.497 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.55 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.323 -1.751 . . . . 0.0 109.903 -179.063 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 175.714 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.191 2.807 . . . . 0.0 110.364 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.43 78.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 176.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.51 86.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.323 1.049 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 125.049 1.468 . . . . 0.0 109.288 178.509 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.96 83.92 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.98 87.07 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-N 118.015 0.37 . . . . 0.0 111.269 176.838 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.35 87.2 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 120.346 -1.471 . . . . 0.0 110.782 175.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.48 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.63 79.21 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 125.541 2.591 . . . . 0.0 109.007 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.754 179.127 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.668 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -175.653 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.126 2.694 . . . . 0.0 113.971 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.46 90.06 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.877 2.311 . . . . 0.0 118.877 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.244 0.784 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.038 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.91 79.56 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.173 2.582 . . . . 0.0 110.923 178.212 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.675 0 O-C-N 122.878 0.936 . . . . 0.0 113.426 -179.363 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.213 -177.429 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.546 -1.346 . . . . 0.0 112.013 178.696 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 124.305 2.002 . . . . 0.0 115.609 -177.649 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.97 24.01 Favored 'General case' 0 C--O 1.295 3.482 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.484 1.038 . . . . 0.0 109.978 -177.555 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.18 1.55 . . . . 0.0 111.892 -177.489 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.93 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.523 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.31 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.761 177.403 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.384 2.897 . . . . 0.0 117.519 -179.482 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.59 46.44 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.724 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.771 -2.678 . . . . 0.0 103.771 174.574 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.034 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.03 36.65 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.005 1.44 . . . . 0.0 109.966 -177.722 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.23 30.36 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.631 3.567 . . . . 0.0 120.631 -175.813 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.27 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 -177.311 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 119.985 -1.891 . . . . 0.0 108.025 176.49 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.16 79.22 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.166 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.64 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.161 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.53 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.455 1.121 . . . . 0.0 110.686 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.71 51.34 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.686 -1.15 . . . . 0.0 112.996 179.258 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.4 18.53 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.563 1.983 . . . . 0.0 111.192 179.808 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.34 30.18 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-O 115.118 -2.372 . . . . 0.0 106.134 175.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 126.148 2.155 . . . . 0.0 109.544 -176.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -54.78 143.06 26.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.216 1.484 . . . . 0.0 109.252 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.473 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.52 34.58 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.844 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.7 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.59 19.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.729 -2.558 . . . . 0.0 105.734 175.017 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.72 46.49 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.398 2.936 . . . . 0.0 105.855 177.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.86 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.537 176.555 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.537 -2.764 . . . . 0.0 103.537 175.191 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.181 0.515 . . . . 0.0 109.827 178.442 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.61 37.61 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.283 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.489 -179.607 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.3 31.71 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 126.928 2.642 . . . . 0.0 108.906 178.282 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.19 163.01 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.367 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.14 49.53 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.469 4.856 . . . . 0.0 108.762 179.561 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.541 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.368 4.168 . . . . 0.0 108.057 -178.153 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.7 8.41 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.829 -1.081 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.42 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.023 0.827 . . . . 0.0 112.617 -177.957 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.153 0 C-N-CA 115.804 -2.358 . . . . 0.0 112.009 179.901 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.43 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.126 -1.609 . . . . 0.0 116.089 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.591 2.432 . . . . 0.0 105.992 176.176 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.586 3.053 . . . . 0.0 109.05 179.663 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.296 -1.762 . . . . 0.0 108.242 178.134 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.09 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.355 -2.26 . . . . 0.0 108.452 -179.174 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.23 44.47 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.186 4.054 . . . . 0.0 103.618 173.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.59 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.678 3.111 . . . . 0.0 111.223 -177.894 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.89 144.51 37.54 Favored Pre-proline 0 C--N 1.314 -0.973 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.331 174.704 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.49 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 122.56 2.174 . . . . 0.0 111.916 177.721 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.925 -177.543 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.51 47.47 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.873 -179.014 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.41 21.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.727 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.27 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.129 2.768 . . . . 0.0 110.41 175.751 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.5 79.08 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.865 . . . . 0.0 110.751 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.44 -44.44 87.31 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.314 1.046 . . . . 0.0 111.5 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.43 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.039 1.462 . . . . 0.0 109.319 178.503 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.97 83.74 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.751 -179.712 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.98 86.98 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 117.969 0.349 . . . . 0.0 111.237 176.869 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.28 86.95 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 120.341 -1.474 . . . . 0.0 110.804 176.029 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 125.498 2.57 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.74 66.59 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.709 179.142 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.692 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 -175.671 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.133 2.697 . . . . 0.0 113.954 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.4 90.1 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.521 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.86 83.22 Favored Pre-proline 0 C--O 1.243 0.728 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.003 179.714 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.87 79.12 Favored 'Trans proline' 0 C--O 1.259 1.557 0 C-N-CA 123.126 2.55 . . . . 0.0 110.933 178.214 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.63 Favored 'Trans proline' 0 C--O 1.261 1.668 0 C-N-CA 120.693 0.929 . . . . 0.0 113.433 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.62 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.957 -1.714 . . . . 0.0 112.217 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.47 28.87 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.527 -1.358 . . . . 0.0 112.005 178.743 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.311 2.005 . . . . 0.0 115.633 -177.674 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.95 23.96 Favored 'General case' 0 C--O 1.296 3.528 0 N-CA-C 104.872 -2.269 . . . . 0.0 104.872 172.133 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.456 1.025 . . . . 0.0 110.036 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.132 1.52 . . . . 0.0 111.867 -177.422 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.7 18.9 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.276 -2.238 . . . . 0.0 110.773 177.384 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.11 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 128.329 2.871 . . . . 0.0 117.486 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.69 46.3 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.26 34.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 174.521 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.36 37.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.015 -175.892 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.7 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.01 1.444 . . . . 0.0 109.986 -177.781 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.17 29.98 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.711 3.596 . . . . 0.0 120.711 -175.81 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.8 85.3 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.068 1.187 . . . . 0.0 116.068 -177.339 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.55 17.01 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.025 -1.868 . . . . 0.0 107.998 176.49 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.63 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.16 79.17 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.155 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.182 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.55 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.432 1.11 . . . . 0.0 110.698 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.994 179.294 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.33 18.41 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.568 1.986 . . . . 0.0 111.237 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.158 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 126.126 2.141 . . . . 0.0 109.512 -176.845 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 39.7 ttmt -54.81 143.09 26.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.204 1.478 . . . . 0.0 109.245 -176.94 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.22 10.68 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.79 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.003 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.462 2.976 . . . . 0.0 105.875 177.951 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.533 176.581 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.94 28.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 175.146 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.152 0.501 . . . . 0.0 109.851 178.421 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.01 41.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.339 -3.22 . . . . 0.0 105.523 -178.697 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.957 2.66 . . . . 0.0 108.95 178.282 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.376 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.17 49.51 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.5 4.875 . . . . 0.0 108.781 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.438 -3.172 . . . . 0.0 105.529 175.812 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.21 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 129.382 4.176 . . . . 0.0 108.011 -178.131 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -7.01 49.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.036 0.835 . . . . 0.0 112.607 -177.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.846 -2.342 . . . . 0.0 111.987 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.52 80.26 Favored Glycine 0 C--N 1.297 -1.586 0 O-C-N 120.127 -1.608 . . . . 0.0 116.166 179.764 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.1 34.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 175.001 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.634 2.459 . . . . 0.0 106.05 176.136 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.01 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 127.637 3.086 . . . . 0.0 109.027 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.227 178.135 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.97 44.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.447 -179.169 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.192 4.058 . . . . 0.0 103.616 173.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.62 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.669 3.106 . . . . 0.0 111.231 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.47 37.58 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.131 -2.304 . . . . 0.0 106.295 174.714 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.85 -24.47 38.75 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.549 2.166 . . . . 0.0 111.93 177.72 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.897 -179.04 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.4 21.25 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.745 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.3 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.164 2.79 . . . . 0.0 110.357 175.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.39 78.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.342 -0.849 . . . . 0.0 110.739 177.014 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.326 1.05 . . . . 0.0 111.493 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.49 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.068 1.48 . . . . 0.0 109.347 178.514 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.74 -38.01 83.71 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.99 86.97 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.005 0.366 . . . . 0.0 111.183 176.9 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.29 86.97 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.409 -1.432 . . . . 0.0 110.833 176.005 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.46 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.56 79.48 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.573 2.606 . . . . 0.0 109.056 179.417 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.75 66.47 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.74 179.127 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.45 17.96 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 -175.676 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.27 8.1 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.105 2.684 . . . . 0.0 113.975 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.306 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.543 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.9 79.4 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.159 2.573 . . . . 0.0 110.903 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.14 92.63 Favored 'Trans proline' 0 C--O 1.262 1.683 0 C-N-CA 120.692 0.928 . . . . 0.0 113.44 -179.388 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 119.986 -1.696 . . . . 0.0 112.201 -177.472 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.79 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.522 -1.361 . . . . 0.0 112.06 178.686 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.319 2.009 . . . . 0.0 115.584 -177.62 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.91 23.86 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.11 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.95 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 119.465 1.029 . . . . 0.0 109.961 -177.546 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 O-C-N 125.144 1.527 . . . . 0.0 111.894 -177.468 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.67 18.98 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.477 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.782 177.383 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.341 2.877 . . . . 0.0 117.474 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.706 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.535 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.017 -175.88 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 125.059 1.475 . . . . 0.0 109.955 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.18 30.43 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.824 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.97 85.17 Favored Glycine 0 CA--C 1.492 -1.387 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.59 17.07 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 119.999 -1.883 . . . . 0.0 108.005 176.511 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.64 11.61 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.112 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.21 79.37 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.132 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.152 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.24 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.505 1.145 . . . . 0.0 110.739 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.69 51.43 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.979 179.259 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.6 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.534 1.97 . . . . 0.0 111.189 179.832 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.153 -2.356 . . . . 0.0 106.211 175.777 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.047 2.092 . . . . 0.0 109.545 -176.851 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.447 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.73 143.0 26.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.175 1.464 . . . . 0.0 109.281 -176.908 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.62 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.489 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.04 159.54 34.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 174.805 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.73 52.22 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.63 19.12 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.714 174.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.72 46.5 Favored 'General case' 0 C--N 1.286 -2.157 0 O-C-N 127.406 2.941 . . . . 0.0 105.891 177.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.827 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.509 176.584 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 175.142 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.134 0.493 . . . . 0.0 109.838 178.455 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.91 34.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.243 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.468 -176.338 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 126.985 2.678 . . . . 0.0 108.92 178.322 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.38 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.446 4.841 . . . . 0.0 108.794 179.585 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.15 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.537 175.848 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.48 41.19 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.052 -178.178 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.75 8.39 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.68 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.068 0.855 . . . . 0.0 112.568 -177.904 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.975 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.46 80.33 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.122 -1.611 . . . . 0.0 116.136 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 174.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.586 2.429 . . . . 0.0 105.998 176.167 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 127.555 3.034 . . . . 0.0 109.048 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.77 36.6 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.209 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.381 -2.247 . . . . 0.0 108.413 -179.166 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.026 1 O-C-N 129.251 4.094 . . . . 0.0 103.577 173.974 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 O-C-N 127.706 3.129 . . . . 0.0 111.261 -177.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.52 37.74 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 112.194 -2.276 . . . . 0.0 106.327 174.701 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.46 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 122.522 2.148 . . . . 0.0 111.954 177.722 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.17 59.13 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.53 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.861 -179.048 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.4 21.19 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 175.727 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.24 77.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.168 2.792 . . . . 0.0 110.362 175.799 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.47 79.22 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.406 -0.809 . . . . 0.0 110.731 176.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.06 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 124.342 1.057 . . . . 0.0 111.507 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.28 -46.5 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.016 1.448 . . . . 0.0 109.282 178.513 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.73 -38.0 83.64 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.2 Favored 'General case' 0 C--O 1.279 2.623 0 CA-C-N 117.965 0.348 . . . . 0.0 111.215 176.857 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.38 87.25 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.435 -1.415 . . . . 0.0 110.861 175.989 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.879 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.34 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.511 2.577 . . . . 0.0 109.011 179.46 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.7 66.53 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.705 -1.588 . . . . 0.0 111.735 179.104 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 123.138 2.699 . . . . 0.0 113.957 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.37 90.11 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.873 2.309 . . . . 0.0 118.873 176.567 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.741 0 C-N-CA 118.835 -1.146 . . . . 0.0 111.005 179.678 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.92 79.48 Favored 'Trans proline' 0 C--O 1.259 1.558 0 C-N-CA 123.155 2.57 . . . . 0.0 110.935 178.183 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.262 1.708 0 C-N-CA 120.699 0.933 . . . . 0.0 113.422 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.59 63.64 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 119.931 -1.731 . . . . 0.0 112.22 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.45 28.93 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 120.505 -1.372 . . . . 0.0 112.084 178.691 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.313 2.006 . . . . 0.0 115.636 -177.656 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.92 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 172.109 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.465 1.03 . . . . 0.0 109.986 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 O-C-N 125.105 1.503 . . . . 0.0 111.892 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.68 18.87 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.03 19.25 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.239 -2.255 . . . . 0.0 110.779 177.346 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 61.0 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.318 2.866 . . . . 0.0 117.529 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.725 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 174.553 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.028 -175.853 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.91 139.99 36.81 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 125.111 1.507 . . . . 0.0 109.977 -177.751 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.12 Favored 'General case' 0 C--O 1.266 1.926 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.83 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.95 85.16 Favored Glycine 0 CA--C 1.492 -1.381 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -177.341 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 119.997 -1.884 . . . . 0.0 108.015 176.538 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.089 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.34 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.22 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.56 70.73 Favored 'General case' 0 C--O 1.269 2.103 0 C-N-CA 117.295 -1.762 . . . . 0.0 112.134 -179.473 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.33 70.6 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.453 1.121 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.708 -1.139 . . . . 0.0 112.993 179.283 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.36 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.548 1.976 . . . . 0.0 111.229 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.39 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.026 0 CA-C-O 115.112 -2.375 . . . . 0.0 106.176 175.816 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.099 2.124 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.5 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 64.1 pttt -54.74 143.02 26.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.224 1.488 . . . . 0.0 109.255 -176.9 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.07 10.59 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 179.463 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.812 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.12 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 175.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.723 175.012 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.79 46.38 Favored 'General case' 0 C--N 1.285 -2.199 0 O-C-N 127.446 2.966 . . . . 0.0 105.904 177.949 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.11 115.83 30.86 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.545 176.612 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.97 28.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.176 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.402 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 141.81 29.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.264 0 CA-C-O 113.423 -3.179 . . . . 0.0 105.479 -179.629 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.968 2.667 . . . . 0.0 108.917 178.343 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.408 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.483 4.864 . . . . 0.0 108.802 179.545 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.521 175.816 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.47 41.19 Favored 'General case' 0 N--CA 1.504 2.233 1 O-C-N 129.368 4.168 . . . . 0.0 108.089 -178.178 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.354 179.915 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.66 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.019 0.825 . . . . 0.0 112.595 -177.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.27 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 115.815 -2.354 . . . . 0.0 112.03 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.36 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.069 -1.644 . . . . 0.0 116.114 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.43 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.73 55.34 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.583 2.427 . . . . 0.0 106.037 176.135 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 127.572 3.045 . . . . 0.0 109.052 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.77 36.67 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.228 -1.789 . . . . 0.0 108.253 178.09 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.01 44.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.335 -2.269 . . . . 0.0 108.428 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.56 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.221 4.076 . . . . 0.0 103.554 173.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 O-C-N 127.669 3.106 . . . . 0.0 111.188 -177.931 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.321 174.699 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.4 39.12 Favored 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 122.58 2.187 . . . . 0.0 111.956 177.718 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.15 59.15 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.52 47.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.843 -179.0 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.43 21.23 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.23 2.831 . . . . 0.0 110.339 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.46 79.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.383 -0.823 . . . . 0.0 110.754 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.04 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.262 1.025 . . . . 0.0 111.533 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.46 89.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 125.065 1.478 . . . . 0.0 109.288 178.504 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.78 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.99 0.359 . . . . 0.0 111.226 176.879 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 120.377 -1.452 . . . . 0.0 110.774 176.019 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.42 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 125.508 2.575 . . . . 0.0 109.008 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.53 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.43 17.93 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.629 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 123.112 2.687 . . . . 0.0 113.957 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.32 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.9 83.45 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.019 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.93 79.65 Favored 'Trans proline' 0 C--O 1.26 1.594 0 C-N-CA 123.139 2.559 . . . . 0.0 110.933 178.227 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.65 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.863 0.928 . . . . 0.0 113.427 -179.358 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 119.925 -1.735 . . . . 0.0 112.251 -177.46 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.79 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.474 -1.392 . . . . 0.0 112.027 178.72 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.7 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.323 2.011 . . . . 0.0 115.648 -177.665 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.95 23.93 Favored 'General case' 0 C--O 1.296 3.505 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.086 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.439 1.018 . . . . 0.0 109.952 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 125.183 1.552 . . . . 0.0 111.856 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.513 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.807 177.372 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.51 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.364 2.888 . . . . 0.0 117.496 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.736 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 103.792 -2.67 . . . . 0.0 103.792 174.538 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.35 37.46 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.02 -175.863 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.01 36.68 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.13 1.519 . . . . 0.0 109.973 -177.722 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.833 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.492 -1.393 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 -177.343 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.55 17.05 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 119.941 -1.917 . . . . 0.0 107.975 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.56 11.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.13 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.23 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.171 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.298 -1.761 . . . . 0.0 112.188 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.28 70.59 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.492 1.139 . . . . 0.0 110.718 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.955 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.41 18.54 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 121.58 1.991 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.72 116.45 30.4 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.103 -2.379 . . . . 0.0 106.164 175.858 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.129 2.143 . . . . 0.0 109.531 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 23.1 pttp -54.74 143.0 26.67 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.233 1.492 . . . . 0.0 109.282 -176.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.442 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.777 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.15 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.278 -0.867 . . . . 0.0 108.665 175.955 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.23 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 114.686 -2.578 . . . . 0.0 105.702 175.02 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.73 46.52 Favored 'General case' 0 C--N 1.285 -2.216 0 O-C-N 127.455 2.972 . . . . 0.0 105.856 177.941 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.88 30.95 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.678 -1.154 . . . . 0.0 111.519 176.576 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.88 28.79 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.122 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.198 0.523 . . . . 0.0 109.821 178.435 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.61 34.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.285 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.519 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.978 2.673 . . . . 0.0 108.93 178.319 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.397 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.472 4.857 . . . . 0.0 108.79 179.555 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.24 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 113.37 -3.205 . . . . 0.0 105.522 175.799 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.19 127.53 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.431 4.207 . . . . 0.0 108.028 -178.162 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.92 49.49 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.02 0.825 . . . . 0.0 112.61 -177.964 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.9 30.51 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.792 -2.363 . . . . 0.0 111.996 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.126 -1.609 . . . . 0.0 116.146 179.725 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.03 34.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 175.047 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.78 55.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.576 2.422 . . . . 0.0 106.005 176.182 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.95 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 127.559 3.037 . . . . 0.0 109.063 179.626 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.85 36.54 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 117.285 -1.766 . . . . 0.0 108.216 178.116 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.08 44.23 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.446 -179.192 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.91 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.993 1 O-C-N 129.185 4.053 . . . . 0.0 103.575 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.655 3.097 . . . . 0.0 111.235 -177.899 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.47 37.54 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.359 174.721 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.49 39.17 Favored 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 122.564 2.176 . . . . 0.0 111.933 177.715 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.11 59.11 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.907 -177.505 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.1 148.52 47.39 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.376 -1.73 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.726 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.179 2.799 . . . . 0.0 110.373 175.765 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.47 79.0 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.4 -0.812 . . . . 0.0 110.707 176.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.44 87.01 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 124.323 1.049 . . . . 0.0 111.511 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.056 1.473 . . . . 0.0 109.305 178.532 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.99 84.01 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.28 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 118.027 0.376 . . . . 0.0 111.217 176.847 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.1 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.396 -1.44 . . . . 0.0 110.852 175.976 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.48 77.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.539 2.59 . . . . 0.0 108.991 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.767 179.118 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.629 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.41 8.09 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.121 2.692 . . . . 0.0 113.975 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.41 90.08 Favored Glycine 0 CA--C 1.478 -2.247 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.026 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.176 2.584 . . . . 0.0 110.904 178.198 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.77 Favored 'Trans proline' 0 C--O 1.262 1.686 0 C-N-CA 120.683 0.922 . . . . 0.0 113.399 -179.365 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 119.99 -1.694 . . . . 0.0 112.211 -177.436 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.92 -10.41 28.84 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.559 -1.338 . . . . 0.0 112.001 178.695 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 124.289 1.995 . . . . 0.0 115.675 -177.678 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.94 23.95 Favored 'General case' 0 C--O 1.297 3.573 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 172.137 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.94 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.479 1.036 . . . . 0.0 109.994 -177.524 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.184 1.552 . . . . 0.0 111.892 -177.471 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 177.536 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.0 19.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.771 177.367 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.64 61.0 Favored Glycine 0 N--CA 1.433 -1.563 0 C-N-CA 128.333 2.873 . . . . 0.0 117.509 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.6 46.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.699 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.37 37.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 117.749 -1.12 . . . . 0.0 110.021 -175.905 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.01 36.71 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 125.047 1.467 . . . . 0.0 109.982 -177.79 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.55 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.82 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.27 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 116.079 1.192 . . . . 0.0 116.079 -177.315 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.03 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 119.984 -1.892 . . . . 0.0 107.997 176.514 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.57 11.65 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.1 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.26 79.29 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.156 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.048 0 C-N-CA 117.306 -1.758 . . . . 0.0 112.147 -179.517 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.454 1.121 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.61 51.63 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.014 179.268 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.518 1.963 . . . . 0.0 111.178 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.41 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.164 175.822 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.079 2.112 . . . . 0.0 109.528 -176.868 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 17.1 pttp -54.75 143.07 26.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.211 1.481 . . . . 0.0 109.255 -176.891 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.49 34.59 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.797 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.972 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.58 19.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.714 175.045 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.36 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.412 2.945 . . . . 0.0 105.853 177.956 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.783 0 CA-C-O 117.657 -1.163 . . . . 0.0 111.506 176.574 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 175.115 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.216 0.532 . . . . 0.0 109.783 178.472 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.16 38.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.288 0 CA-C-O 113.375 -3.203 . . . . 0.0 105.526 179.385 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 126.954 2.659 . . . . 0.0 108.931 178.312 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.382 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.432 4.833 . . . . 0.0 108.777 179.566 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.18 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 113.349 -3.215 . . . . 0.0 105.485 175.806 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.48 41.18 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.476 4.235 . . . . 0.0 108.076 -178.195 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.94 49.53 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.978 0.799 . . . . 0.0 112.611 -177.936 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.06 30.04 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.829 -2.348 . . . . 0.0 111.974 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.149 -1.594 . . . . 0.0 116.137 179.745 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.03 34.45 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.56 2.413 . . . . 0.0 106.009 176.143 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.04 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 127.571 3.045 . . . . 0.0 109.05 179.677 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.213 178.139 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.425 -179.219 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.23 44.52 Favored 'General case' 0 N--CA 1.5 2.029 1 O-C-N 129.256 4.097 . . . . 0.0 103.558 174.003 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.681 3.113 . . . . 0.0 111.219 -177.879 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.15 -2.295 . . . . 0.0 106.323 174.732 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.48 39.36 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 122.518 2.145 . . . . 0.0 112.007 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.872 -177.519 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.54 47.38 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.85 -179.058 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.24 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 O-C-N 127.157 2.786 . . . . 0.0 110.365 175.799 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.45 79.21 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.41 -0.807 . . . . 0.0 110.712 177.013 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.07 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.351 1.06 . . . . 0.0 111.484 -179.641 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.46 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.073 1.483 . . . . 0.0 109.276 178.561 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -37.99 83.68 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.601 0 CA-C-N 118.011 0.369 . . . . 0.0 111.243 176.836 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.32 87.06 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.429 -1.419 . . . . 0.0 110.794 176.019 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.5 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.57 79.43 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.465 2.555 . . . . 0.0 109.012 179.458 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.75 66.65 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.765 179.109 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.41 17.99 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.629 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.121 2.691 . . . . 0.0 113.917 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.41 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.869 2.308 . . . . 0.0 118.869 176.546 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.005 179.718 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.185 2.59 . . . . 0.0 110.895 178.221 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.716 0 C-N-CA 120.673 0.915 . . . . 0.0 113.421 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.96 -1.713 . . . . 0.0 112.217 -177.461 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.49 -1.381 . . . . 0.0 112.045 178.671 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.68 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.349 2.023 . . . . 0.0 115.633 -177.71 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.89 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.087 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.459 1.027 . . . . 0.0 109.973 -177.543 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.139 1.525 . . . . 0.0 111.867 -177.47 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.95 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.516 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.194 -2.275 . . . . 0.0 110.777 177.394 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.38 2.895 . . . . 0.0 117.504 -179.471 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.63 46.37 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.694 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 174.601 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.015 -175.905 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.04 36.68 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.019 1.449 . . . . 0.0 109.968 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.98 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 120.735 3.605 . . . . 0.0 120.735 -175.834 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 116.147 1.219 . . . . 0.0 116.147 -177.414 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.6 16.99 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 120.023 -1.869 . . . . 0.0 107.991 176.497 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.1 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.28 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.196 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.181 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.31 70.43 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.435 1.112 . . . . 0.0 110.733 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.67 51.48 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 117.676 -1.155 . . . . 0.0 113.006 179.299 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.37 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 121.544 1.974 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.18 -2.343 . . . . 0.0 106.185 175.788 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.56 8.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.043 2.09 . . . . 0.0 109.5 -176.834 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.433 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 14.2 mttp -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.195 1.474 . . . . 0.0 109.306 -176.956 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.14 10.59 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.814 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.972 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.74 174.985 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.285 -2.233 0 O-C-N 127.391 2.932 . . . . 0.0 105.882 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.86 30.92 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.532 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.97 28.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 175.165 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.204 0.526 . . . . 0.0 109.845 178.433 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.12 36.93 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.249 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.472 178.523 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 126.991 2.682 . . . . 0.0 108.938 178.355 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.433 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.15 49.54 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.477 4.861 . . . . 0.0 108.784 179.555 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.427 -3.178 . . . . 0.0 105.519 175.825 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.24 Favored 'General case' 0 N--CA 1.505 2.32 1 O-C-N 129.406 4.191 . . . . 0.0 108.043 -178.145 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.91 49.35 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.062 0.851 . . . . 0.0 112.582 -177.921 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.828 -2.349 . . . . 0.0 112.023 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.45 80.4 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.106 -1.621 . . . . 0.0 116.114 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.991 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.75 55.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 126.594 2.434 . . . . 0.0 106.037 176.156 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.43 141.99 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.558 3.036 . . . . 0.0 109.019 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.58 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.211 -1.796 . . . . 0.0 108.215 178.134 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 153.98 44.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.448 -179.214 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.166 4.041 . . . . 0.0 103.577 174.032 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.698 3.124 . . . . 0.0 111.205 -177.869 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.316 174.656 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.45 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.534 2.156 . . . . 0.0 111.94 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.862 -177.515 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.49 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.876 -179.016 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.39 21.29 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.696 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 127.178 2.799 . . . . 0.0 110.404 175.752 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.43 79.02 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.318 -0.864 . . . . 0.0 110.729 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.91 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.93 83.66 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.76 -179.741 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.34 Favored 'General case' 0 C--O 1.279 2.625 0 CA-C-N 117.977 0.353 . . . . 0.0 111.206 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.26 86.88 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.342 -1.474 . . . . 0.0 110.812 176.024 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.51 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.897 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.13 -48.64 79.2 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.508 2.575 . . . . 0.0 109.002 179.414 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.308 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.76 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.41 17.93 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -175.655 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.36 8.12 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.152 2.706 . . . . 0.0 113.987 179.821 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.43 90.11 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.511 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.009 179.676 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.06 137.0 79.97 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.171 2.581 . . . . 0.0 110.909 178.193 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.73 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.718 0.945 . . . . 0.0 113.393 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.807 0 O-C-N 119.938 -1.726 . . . . 0.0 112.189 -177.432 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.529 -1.357 . . . . 0.0 112.049 178.664 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 124.306 2.003 . . . . 0.0 115.621 -177.644 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.84 -2.282 . . . . 0.0 104.84 172.133 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.08 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 119.466 1.03 . . . . 0.0 109.974 -177.576 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.131 1.519 . . . . 0.0 111.897 -177.545 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.69 18.97 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.516 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.97 19.44 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.768 177.4 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.58 61.19 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 128.291 2.853 . . . . 0.0 117.457 -179.531 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 177.673 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.569 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.44 37.49 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.004 -175.855 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 139.94 36.83 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.708 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.2 29.52 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 -175.834 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.87 85.26 Favored Glycine 0 CA--C 1.492 -1.356 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 -177.279 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 120.028 -1.866 . . . . 0.0 107.99 176.509 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.154 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.197 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.92 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.151 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.29 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.454 1.121 . . . . 0.0 110.764 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.44 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.991 179.259 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.41 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 121.526 1.966 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.035 0 CA-C-O 115.074 -2.394 . . . . 0.0 106.18 175.85 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.5 8.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.12 2.138 . . . . 0.0 109.516 -176.864 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.523 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.69 143.05 26.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.215 1.483 . . . . 0.0 109.292 -176.924 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.494 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.52 34.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.75 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.74 52.26 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.926 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.713 -2.565 . . . . 0.0 105.712 175.046 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.411 2.944 . . . . 0.0 105.907 177.898 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.523 176.564 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.149 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.165 0.507 . . . . 0.0 109.87 178.424 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.92 34.43 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.305 0 CA-C-O 113.369 -3.205 . . . . 0.0 105.548 -179.765 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.908 2.63 . . . . 0.0 108.912 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 173.375 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.19 49.49 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.449 4.843 . . . . 0.0 108.733 179.614 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 113.368 -3.206 . . . . 0.0 105.468 175.837 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.21 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.458 4.224 . . . . 0.0 108.081 -178.192 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.38 -6.98 49.69 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.077 0.86 . . . . 0.0 112.598 -177.947 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 115.838 -2.345 . . . . 0.0 112.004 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.117 -1.614 . . . . 0.0 116.138 179.759 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 174.956 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.659 2.474 . . . . 0.0 106.063 176.177 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.624 3.077 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.83 36.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.228 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.458 -179.191 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.18 44.33 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.229 4.08 . . . . 0.0 103.559 173.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.63 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.678 3.111 . . . . 0.0 111.184 -177.87 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.54 37.73 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.363 174.655 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.39 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.503 2.135 . . . . 0.0 111.984 177.752 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.14 59.15 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.897 -177.509 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.45 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 117.348 -1.741 . . . . 0.0 109.826 -179.007 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.4 21.25 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.716 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 127.201 2.813 . . . . 0.0 110.386 175.795 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.43 79.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.352 -0.842 . . . . 0.0 110.737 176.963 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.47 86.99 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 124.374 1.069 . . . . 0.0 111.507 -179.626 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.38 -46.45 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.062 1.476 . . . . 0.0 109.277 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -38.03 83.81 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.21 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-N 118.002 0.364 . . . . 0.0 111.186 176.875 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.438 -1.414 . . . . 0.0 110.833 176.021 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.4 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.58 79.27 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.514 2.578 . . . . 0.0 109.043 179.468 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.74 66.58 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.707 179.132 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.36 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -175.639 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.33 8.09 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.094 2.679 . . . . 0.0 113.95 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.11 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.494 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.86 83.25 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.995 179.747 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.139 2.559 . . . . 0.0 110.922 178.21 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.71 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 122.879 0.936 . . . . 0.0 113.376 -179.32 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.62 63.65 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.98 -1.7 . . . . 0.0 112.205 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.46 29.0 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.507 -1.371 . . . . 0.0 112.05 178.711 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 124.311 2.005 . . . . 0.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.126 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.427 1.012 . . . . 0.0 110.0 -177.57 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.128 1.517 . . . . 0.0 111.926 -177.531 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.69 18.9 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.505 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.97 19.54 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.814 177.39 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.51 61.09 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.378 2.894 . . . . 0.0 117.523 -179.444 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.7 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 174.56 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.36 37.49 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.734 -1.126 . . . . 0.0 110.031 -175.895 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.0 36.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.047 1.467 . . . . 0.0 109.977 -177.747 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.25 29.29 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.737 3.606 . . . . 0.0 120.737 -175.788 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.491 -1.42 0 N-CA-C 116.085 1.194 . . . . 0.0 116.085 -177.362 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.53 17.09 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.003 -1.881 . . . . 0.0 107.969 176.528 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.54 11.68 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.121 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.136 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.16 -179.481 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.33 70.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.457 1.123 . . . . 0.0 110.717 179.791 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.42 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.967 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.98 45.28 18.34 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 121.596 1.998 . . . . 0.0 111.159 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.37 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.126 -2.369 . . . . 0.0 106.105 175.867 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 126.087 2.117 . . . . 0.0 109.489 -176.86 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -54.75 143.04 26.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.231 1.491 . . . . 0.0 109.281 -176.937 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.469 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.63 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.787 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.76 52.31 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.958 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 114.668 -2.587 . . . . 0.0 105.717 175.01 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.44 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.448 2.968 . . . . 0.0 105.854 177.974 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.475 176.598 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.9 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.068 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.158 0.504 . . . . 0.0 109.848 178.473 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.28 33.91 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.503 -179.391 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.987 2.679 . . . . 0.0 108.952 178.305 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.691 173.394 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.471 4.857 . . . . 0.0 108.82 179.556 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 113.382 -3.199 . . . . 0.0 105.516 175.807 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.408 4.192 . . . . 0.0 108.08 -178.176 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.34 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.084 0.865 . . . . 0.0 112.576 -177.933 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 14.99 30.25 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.762 -2.375 . . . . 0.0 111.994 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.47 80.35 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.147 -1.595 . . . . 0.0 116.131 179.763 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.03 34.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 174.967 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.72 55.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.644 2.465 . . . . 0.0 106.03 176.155 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.623 3.077 . . . . 0.0 109.0 179.668 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.225 178.12 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.99 44.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.318 -2.277 . . . . 0.0 108.451 -179.186 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.18 44.37 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.265 4.103 . . . . 0.0 103.531 174.004 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.62 15.88 Favored 'Isoleucine or valine' 0 C--O 1.252 1.188 0 O-C-N 127.731 3.144 . . . . 0.0 111.218 -177.891 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.183 -2.281 . . . . 0.0 106.269 174.699 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.47 39.03 Favored 'Trans proline' 0 C--N 1.319 -0.982 0 C-N-CA 122.554 2.169 . . . . 0.0 111.961 177.687 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.15 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.918 -177.525 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.885 -179.056 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.42 21.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.702 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.21 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.213 2.821 . . . . 0.0 110.353 175.806 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.66 -40.39 79.24 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.342 -0.848 . . . . 0.0 110.753 176.97 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.58 -44.45 86.63 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 124.367 1.067 . . . . 0.0 111.565 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.44 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.061 1.475 . . . . 0.0 109.275 178.524 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.99 83.88 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.809 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.95 86.99 Favored 'General case' 0 C--O 1.279 2.63 0 CA-C-N 117.967 0.348 . . . . 0.0 111.214 176.863 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.396 -1.44 . . . . 0.0 110.789 176.027 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.923 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.6 79.26 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.534 2.588 . . . . 0.0 109.016 179.463 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.62 66.64 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.743 179.132 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.66 -24.39 17.9 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -175.634 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.32 8.09 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 123.178 2.717 . . . . 0.0 113.97 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.34 90.15 Favored Glycine 0 CA--C 1.477 -2.314 0 N-CA-C 118.871 2.309 . . . . 0.0 118.871 176.539 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.95 79.64 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.169 2.579 . . . . 0.0 110.906 178.251 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.262 1.685 0 O-C-N 122.857 0.925 . . . . 0.0 113.43 -179.331 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.59 63.64 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.956 -1.715 . . . . 0.0 112.249 -177.482 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.77 -10.55 28.83 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 120.459 -1.401 . . . . 0.0 112.023 178.692 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.76 34.78 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.338 2.018 . . . . 0.0 115.664 -177.66 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.94 23.91 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.142 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.489 1.04 . . . . 0.0 110.001 -177.595 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.83 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 O-C-N 125.159 1.537 . . . . 0.0 111.951 -177.522 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.542 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.97 19.39 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.775 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.58 61.21 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.398 2.904 . . . . 0.0 117.5 -179.497 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.66 46.35 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.703 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 174.601 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.011 -175.9 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.052 1.47 . . . . 0.0 109.967 -177.747 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.93 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.8 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.25 Favored Glycine 0 CA--C 1.491 -1.414 0 N-CA-C 116.095 1.198 . . . . 0.0 116.095 -177.323 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.57 17.0 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.969 -1.9 . . . . 0.0 107.969 176.554 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.129 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.178 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.58 70.73 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.289 -1.765 . . . . 0.0 112.18 -179.447 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.3 70.67 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.453 1.12 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.673 -1.156 . . . . 0.0 112.997 179.261 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.4 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.598 1.999 . . . . 0.0 111.166 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.39 30.29 Favored 'Isoleucine or valine' 0 C--O 1.269 2.082 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.165 175.818 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 126.127 2.142 . . . . 0.0 109.544 -176.917 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.242 1.496 . . . . 0.0 109.223 -176.853 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.13 10.61 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.889 2.552 . . . . 0.0 117.889 179.437 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 174.825 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.71 52.2 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.944 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.731 -2.557 . . . . 0.0 105.726 174.995 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.387 2.929 . . . . 0.0 105.89 177.969 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.795 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.526 176.588 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.17 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.162 0.506 . . . . 0.0 109.858 178.447 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.07 35.67 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.23 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.539 -178.937 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.685 . . . . 0.0 108.899 178.347 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 173.407 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.457 4.848 . . . . 0.0 108.77 179.585 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.515 175.81 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.47 41.23 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.411 4.195 . . . . 0.0 108.077 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.98 49.78 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.076 0.86 . . . . 0.0 112.584 -177.966 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.05 30.05 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 115.826 -2.349 . . . . 0.0 111.995 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.617 0 O-C-N 120.106 -1.621 . . . . 0.0 116.145 179.787 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 174.981 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.571 2.419 . . . . 0.0 106.05 176.144 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.579 3.05 . . . . 0.0 109.018 179.689 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.78 36.69 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.223 178.134 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.417 -179.204 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.179 4.049 . . . . 0.0 103.548 174.028 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.74 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.693 3.12 . . . . 0.0 111.2 -177.9 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.7 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.312 174.725 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.45 39.37 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.586 2.191 . . . . 0.0 111.904 177.713 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.15 59.16 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.897 -177.467 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.43 47.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.374 -1.73 . . . . 0.0 109.864 -179.05 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.729 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.245 2.841 . . . . 0.0 110.369 175.77 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.41 79.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.383 -0.823 . . . . 0.0 110.713 177.042 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.49 86.92 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.304 1.042 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.43 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.037 1.461 . . . . 0.0 109.345 178.484 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.802 -179.82 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.11 87.43 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.992 0.36 . . . . 0.0 111.184 176.926 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 120.384 -1.448 . . . . 0.0 110.826 175.982 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.45 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.62 79.19 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.524 2.583 . . . . 0.0 108.988 179.51 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.73 66.49 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.734 179.139 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.66 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.143 2.701 . . . . 0.0 114.003 179.782 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.883 2.313 . . . . 0.0 118.883 176.505 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.748 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.998 179.726 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.9 79.43 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.164 2.576 . . . . 0.0 110.929 178.178 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.14 92.73 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.858 0.925 . . . . 0.0 113.389 -179.373 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.264 1.822 0 O-C-N 119.955 -1.715 . . . . 0.0 112.164 -177.443 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.473 -1.392 . . . . 0.0 112.07 178.69 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.67 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.34 2.019 . . . . 0.0 115.615 -177.66 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.153 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.3 51.1 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.51 1.05 . . . . 0.0 109.987 -177.56 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.203 1.564 . . . . 0.0 111.877 -177.482 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.65 18.93 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.491 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.96 19.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.747 177.355 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.61 61.1 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.346 2.879 . . . . 0.0 117.449 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.691 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.538 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.32 37.43 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.021 -175.872 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 139.98 36.73 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.03 1.457 . . . . 0.0 109.933 -177.762 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.27 29.0 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.638 3.57 . . . . 0.0 120.638 -175.791 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.89 85.26 Favored Glycine 0 CA--C 1.491 -1.429 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -177.326 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 119.94 -1.917 . . . . 0.0 108.0 176.504 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.59 11.65 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.24 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.194 -179.464 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.58 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.487 1.137 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.61 51.56 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.986 179.272 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.43 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 121.571 1.987 . . . . 0.0 111.21 179.861 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.177 175.834 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 126.069 2.106 . . . . 0.0 109.522 -176.835 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.504 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 20.9 pttm -54.68 143.01 26.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.18 1.467 . . . . 0.0 109.242 -176.906 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.73 52.24 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.898 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.728 174.985 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.41 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.421 2.95 . . . . 0.0 105.894 177.927 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.524 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.9 28.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 175.114 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.197 0.522 . . . . 0.0 109.858 178.419 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.0 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.73 36.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.287 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.508 -175.852 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.21 31.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.928 2.642 . . . . 0.0 108.941 178.328 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.394 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.495 4.872 . . . . 0.0 108.769 179.574 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.433 -3.175 . . . . 0.0 105.489 175.79 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.48 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.381 4.176 . . . . 0.0 108.063 -178.169 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.18 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.017 0.823 . . . . 0.0 112.572 -177.953 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.778 -2.369 . . . . 0.0 112.015 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.34 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.072 -1.642 . . . . 0.0 116.088 179.742 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.964 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.587 2.429 . . . . 0.0 106.038 176.145 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.555 3.035 . . . . 0.0 109.039 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.237 178.144 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.22 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.375 -2.25 . . . . 0.0 108.461 -179.22 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.043 1 O-C-N 129.201 4.063 . . . . 0.0 103.527 174.009 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 O-C-N 127.687 3.117 . . . . 0.0 111.233 -177.957 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.362 174.658 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.26 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 122.578 2.185 . . . . 0.0 111.974 177.705 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.2 59.17 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.935 -177.52 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.841 -179.027 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.718 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 127.174 2.796 . . . . 0.0 110.393 175.776 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.401 -0.812 . . . . 0.0 110.745 176.983 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.01 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 124.343 1.057 . . . . 0.0 111.494 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.41 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.108 1.505 . . . . 0.0 109.318 178.525 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.77 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.759 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-N 118.022 0.373 . . . . 0.0 111.252 176.853 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.19 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.369 -1.457 . . . . 0.0 110.801 175.999 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.914 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.57 79.39 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.494 2.569 . . . . 0.0 109.015 179.445 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.68 66.59 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.671 -1.604 . . . . 0.0 111.721 179.149 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.48 17.95 Favored 'General case' 0 C--O 1.28 2.682 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.676 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 123.166 2.712 . . . . 0.0 113.956 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.37 90.1 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.906 2.322 . . . . 0.0 118.906 176.543 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.83 83.3 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.55 Favored 'Trans proline' 0 C--O 1.26 1.591 0 C-N-CA 123.167 2.578 . . . . 0.0 110.914 178.206 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.697 0.932 . . . . 0.0 113.46 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.967 -1.708 . . . . 0.0 112.201 -177.467 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.507 -1.371 . . . . 0.0 112.026 178.689 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.74 34.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 124.306 2.003 . . . . 0.0 115.663 -177.638 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.94 23.91 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 172.157 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.06 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.493 1.042 . . . . 0.0 109.992 -177.568 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.144 1.527 . . . . 0.0 111.924 -177.489 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.515 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.47 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.792 177.384 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.57 61.07 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 128.389 2.9 . . . . 0.0 117.499 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.724 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.509 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.007 -175.892 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.092 1.495 . . . . 0.0 109.963 -177.741 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.15 30.28 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.682 3.586 . . . . 0.0 120.682 -175.801 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.24 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.113 1.205 . . . . 0.0 116.113 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.52 17.05 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 120.029 -1.865 . . . . 0.0 107.987 176.512 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.112 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.18 79.12 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.163 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.6 70.75 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 117.314 -1.754 . . . . 0.0 112.124 -179.423 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.405 1.097 . . . . 0.0 110.699 179.768 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.42 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.983 179.286 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.3 18.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.569 1.986 . . . . 0.0 111.185 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.4 30.26 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.128 -2.367 . . . . 0.0 106.161 175.864 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.097 2.123 . . . . 0.0 109.555 -176.848 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 38.2 ttpt -54.73 142.99 26.64 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.207 1.479 . . . . 0.0 109.26 -176.932 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.09 10.58 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.927 2.566 . . . . 0.0 117.927 179.491 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.49 34.61 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.789 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.952 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.73 174.99 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.414 2.946 . . . . 0.0 105.862 177.919 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.489 176.56 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.084 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.235 0.54 . . . . 0.0 109.804 178.489 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.99 37.11 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.25 0 CA-C-O 113.394 -3.193 . . . . 0.0 105.492 179.028 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 126.991 2.682 . . . . 0.0 108.896 178.333 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 162.98 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.385 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.22 49.44 Favored 'General case' 0 N--CA 1.512 2.641 1 O-C-N 130.468 4.855 . . . . 0.0 108.789 179.58 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.49 175.86 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.48 41.22 Favored 'General case' 0 N--CA 1.505 2.276 1 O-C-N 129.416 4.197 . . . . 0.0 108.048 -178.173 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.75 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.071 0.857 . . . . 0.0 112.582 -177.934 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.834 -2.346 . . . . 0.0 112.041 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.137 -1.602 . . . . 0.0 116.126 179.771 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.002 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.82 55.37 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 126.588 2.43 . . . . 0.0 106.02 176.165 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.557 3.036 . . . . 0.0 109.071 179.609 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.278 -1.769 . . . . 0.0 108.201 178.129 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.39 -179.181 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.47 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.197 4.061 . . . . 0.0 103.597 173.963 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.7 15.69 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.619 3.075 . . . . 0.0 111.229 -177.869 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.35 174.645 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.46 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.545 2.163 . . . . 0.0 111.973 177.674 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.899 -177.507 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.54 47.47 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.329 -1.748 . . . . 0.0 109.904 -179.072 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.708 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 O-C-N 127.169 2.793 . . . . 0.0 110.351 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.2 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.382 -0.824 . . . . 0.0 110.707 177.021 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.93 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.339 1.056 . . . . 0.0 111.5 -179.6 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.086 1.491 . . . . 0.0 109.302 178.529 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.98 83.85 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.11 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-N 117.977 0.353 . . . . 0.0 111.21 176.893 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.28 86.95 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.367 -1.458 . . . . 0.0 110.833 175.968 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.44 77.38 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.55 79.5 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.019 179.486 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.64 66.68 Favored 'General case' 0 C--O 1.254 1.328 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.728 179.137 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.65 -24.38 17.91 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -175.702 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.142 2.701 . . . . 0.0 113.964 179.789 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.916 2.326 . . . . 0.0 118.916 176.561 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.29 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.029 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.147 2.565 . . . . 0.0 110.91 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.08 92.55 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.877 0.935 . . . . 0.0 113.427 -179.408 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.6 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.969 -1.707 . . . . 0.0 112.227 -177.413 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.51 28.77 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.502 -1.374 . . . . 0.0 112.032 178.675 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.325 2.012 . . . . 0.0 115.585 -177.575 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.87 23.83 Favored 'General case' 0 C--O 1.296 3.516 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.103 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.53 130.3 50.9 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.461 1.028 . . . . 0.0 109.971 -177.555 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.83 72.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 125.128 1.517 . . . . 0.0 111.878 -177.475 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.64 18.89 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.51 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 112.245 -2.252 . . . . 0.0 110.768 177.394 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.5 61.11 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.296 2.855 . . . . 0.0 117.553 -179.49 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.4 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.708 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.32 37.5 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.029 -175.895 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.061 1.476 . . . . 0.0 109.973 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.19 29.01 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.781 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.87 85.23 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.117 1.207 . . . . 0.0 116.117 -177.341 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.59 17.02 Favored 'General case' 0 C--O 1.249 1.079 0 O-C-N 119.983 -1.893 . . . . 0.0 108.029 176.463 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.59 11.65 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.17 79.21 Favored 'General case' 0 C--O 1.203 -1.39 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.165 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.331 -1.748 . . . . 0.0 112.164 -179.453 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.459 1.123 . . . . 0.0 110.759 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.997 179.254 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.34 18.61 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-N 121.538 1.972 . . . . 0.0 111.196 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.033 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.165 175.807 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.174 2.171 . . . . 0.0 109.506 -176.84 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -54.75 143.02 26.64 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.205 1.479 . . . . 0.0 109.242 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 179.45 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.788 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.71 52.24 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.923 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.66 19.1 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.721 -2.561 . . . . 0.0 105.706 174.995 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.45 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 127.398 2.936 . . . . 0.0 105.872 177.951 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.85 30.9 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.609 -1.186 . . . . 0.0 111.502 176.558 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.93 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.104 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.173 0.511 . . . . 0.0 109.875 178.393 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.9 38.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.236 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.517 -179.374 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.486 ' H ' ' HE2' ' B' ' 63' ' ' LYS . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.943 2.652 . . . . 0.0 108.941 178.279 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 173.361 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.667 1 O-C-N 130.436 4.835 . . . . 0.0 108.784 179.571 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.482 175.838 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.52 41.19 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.422 4.201 . . . . 0.0 108.039 -178.132 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.79 8.35 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.9 49.33 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.053 0.846 . . . . 0.0 112.601 -177.952 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 115.838 -2.345 . . . . 0.0 111.972 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.38 80.38 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.097 -1.627 . . . . 0.0 116.113 179.732 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.11 34.33 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 174.958 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 126.629 2.456 . . . . 0.0 106.031 176.162 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 127.606 3.066 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.73 36.66 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.232 178.14 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.38 154.0 44.17 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.439 -179.188 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.22 4.075 . . . . 0.0 103.587 173.974 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.62 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.706 3.128 . . . . 0.0 111.202 -177.91 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.295 174.735 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.41 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.497 2.131 . . . . 0.0 111.944 177.698 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.875 -177.498 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.98 148.51 47.58 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.746 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.23 77.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.152 2.782 . . . . 0.0 110.382 175.738 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.49 79.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.736 176.941 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.5 87.13 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.302 1.041 . . . . 0.0 111.568 -179.659 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.44 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.044 1.465 . . . . 0.0 109.302 178.491 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.83 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.721 -179.761 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.09 87.38 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.029 0.377 . . . . 0.0 111.232 176.916 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.26 86.87 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.448 -1.407 . . . . 0.0 110.819 176.026 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.44 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.249 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.45 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.559 2.599 . . . . 0.0 109.002 179.471 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.63 66.65 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.39 17.94 Favored 'General case' 0 C--O 1.279 2.632 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.687 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.39 8.07 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.111 2.687 . . . . 0.0 113.981 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.16 Favored Glycine 0 CA--C 1.478 -2.225 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.525 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.86 83.41 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.062 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.35 Favored 'Trans proline' 0 C--O 1.259 1.535 0 C-N-CA 123.153 2.568 . . . . 0.0 110.935 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.07 92.59 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.871 0.932 . . . . 0.0 113.405 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.948 -1.72 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.515 -1.366 . . . . 0.0 112.009 178.703 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.77 34.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.311 2.005 . . . . 0.0 115.629 -177.611 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.33 115.95 23.9 Favored 'General case' 0 C--O 1.296 3.503 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 172.129 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.414 1.006 . . . . 0.0 109.968 -177.524 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 125.111 1.507 . . . . 0.0 111.92 -177.508 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 177.514 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.68 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.813 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.56 61.13 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 128.366 2.888 . . . . 0.0 117.464 -179.524 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.6 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 174.525 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.37 37.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.019 -175.896 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.98 36.77 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.042 1.464 . . . . 0.0 109.976 -177.776 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.21 29.24 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.744 3.609 . . . . 0.0 120.744 -175.85 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.3 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.56 17.01 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 120.04 -1.859 . . . . 0.0 107.988 176.518 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 177.111 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.158 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.96 -29.58 70.73 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.175 -179.444 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.466 1.127 . . . . 0.0 110.698 179.766 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.969 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.59 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.599 1.999 . . . . 0.0 111.236 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.212 -2.328 . . . . 0.0 106.157 175.826 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.5 8.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 126.078 2.111 . . . . 0.0 109.467 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.486 ' HE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -54.72 142.99 26.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.176 1.465 . . . . 0.0 109.296 -176.937 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.1 10.57 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.919 2.562 . . . . 0.0 117.919 179.508 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.747 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.17 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.663 176.015 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.741 174.994 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.78 46.42 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.421 2.95 . . . . 0.0 105.885 177.947 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.471 176.592 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 175.105 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.213 0.53 . . . . 0.0 109.833 178.459 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 140.1 31.27 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.558 -179.22 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.992 2.683 . . . . 0.0 108.941 178.319 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 CA-C-O 115.972 -1.966 . . . . 0.0 105.698 173.365 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.11 49.56 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.421 4.825 . . . . 0.0 108.759 179.583 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.02 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.508 175.815 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.51 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.377 4.173 . . . . 0.0 108.036 -178.156 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.91 49.44 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.039 0.837 . . . . 0.0 112.61 -177.984 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.796 -2.362 . . . . 0.0 111.989 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.51 80.27 Favored Glycine 0 C--N 1.297 -1.61 0 O-C-N 120.083 -1.636 . . . . 0.0 116.158 179.785 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.45 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.97 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.81 55.36 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.614 2.447 . . . . 0.0 106.005 176.135 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.53 3.019 . . . . 0.0 109.072 179.621 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.69 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.241 -1.784 . . . . 0.0 108.233 178.129 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.498 1.971 1 O-C-N 129.183 4.052 . . . . 0.0 103.568 174.021 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 127.697 3.123 . . . . 0.0 111.226 -177.911 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.174 -2.284 . . . . 0.0 106.309 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.41 39.39 Favored 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 122.587 2.192 . . . . 0.0 111.951 177.664 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.07 -0.966 . . . . 0.0 110.876 -177.463 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.53 47.4 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.876 -179.047 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.686 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.26 77.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.203 2.814 . . . . 0.0 110.39 175.791 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.19 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.742 176.976 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.48 87.11 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 124.288 1.035 . . . . 0.0 111.525 -179.652 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.41 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.038 1.461 . . . . 0.0 109.311 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.95 83.75 Favored 'General case' 0 C--O 1.257 1.459 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.02 87.05 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.032 0.378 . . . . 0.0 111.229 176.892 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.2 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.422 -1.424 . . . . 0.0 110.795 176.021 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.54 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.6 79.37 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.474 2.559 . . . . 0.0 108.995 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.74 66.55 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.703 179.182 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.37 17.97 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -175.65 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.4 8.07 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.075 2.671 . . . . 0.0 113.962 179.795 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.477 -2.293 0 N-CA-C 118.906 2.323 . . . . 0.0 118.906 176.551 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.84 83.39 Favored Pre-proline 0 C--O 1.243 0.711 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.006 179.696 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.87 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.138 2.559 . . . . 0.0 110.911 178.218 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.13 92.77 Favored 'Trans proline' 0 C--O 1.263 1.725 0 C-N-CA 120.71 0.94 . . . . 0.0 113.398 -179.337 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.956 -1.715 . . . . 0.0 112.205 -177.446 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.44 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.532 -1.355 . . . . 0.0 112.087 178.672 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.339 2.018 . . . . 0.0 115.616 -177.621 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.506 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 172.049 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.97 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.439 1.018 . . . . 0.0 109.986 -177.579 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.13 1.519 . . . . 0.0 111.931 -177.534 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 177.509 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.48 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 112.311 -2.222 . . . . 0.0 110.761 177.408 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.6 61.04 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.324 2.869 . . . . 0.0 117.517 -179.518 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 177.712 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.26 34.61 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.588 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.34 37.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.04 -175.885 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.72 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.051 1.469 . . . . 0.0 109.969 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.21 29.61 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.813 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.415 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 -177.391 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 120.0 -1.882 . . . . 0.0 108.019 176.493 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 177.145 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.25 79.29 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.136 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 117.31 -1.756 . . . . 0.0 112.163 -179.447 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.3 70.66 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 122.483 1.135 . . . . 0.0 110.767 179.758 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.72 51.36 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 117.642 -1.17 . . . . 0.0 112.975 179.245 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.59 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 121.568 1.985 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.182 175.838 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.47 8.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.565 -176.878 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.572 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.7 143.0 26.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.217 1.484 . . . . 0.0 109.23 -176.946 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.433 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.51 34.61 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.791 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.942 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 114.68 -2.581 . . . . 0.0 105.722 174.999 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 127.463 2.977 . . . . 0.0 105.895 177.927 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.642 -1.171 . . . . 0.0 111.496 176.575 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.137 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.41 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.1 32.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.282 0 CA-C-O 113.412 -3.185 . . . . 0.0 105.525 -179.058 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 126.976 2.672 . . . . 0.0 108.891 178.336 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.433 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.48 Favored 'General case' 0 N--CA 1.512 2.659 1 O-C-N 130.494 4.871 . . . . 0.0 108.744 179.598 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.547 175.808 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.46 41.16 Favored 'General case' 0 N--CA 1.504 2.254 1 O-C-N 129.41 4.194 . . . . 0.0 108.082 -178.165 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.007 0.817 . . . . 0.0 112.585 -177.952 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.853 -2.339 . . . . 0.0 112.017 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.36 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.191 -1.568 . . . . 0.0 116.115 179.781 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 174.992 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 126.614 2.446 . . . . 0.0 106.036 176.167 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.592 3.058 . . . . 0.0 109.056 179.673 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.78 36.67 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.216 -1.794 . . . . 0.0 108.246 178.07 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.02 44.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.19 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.35 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.211 4.069 . . . . 0.0 103.567 174.007 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.67 3.106 . . . . 0.0 111.219 -177.885 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.51 37.76 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.306 174.684 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.46 39.16 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.581 2.187 . . . . 0.0 111.928 177.753 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.877 -177.518 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.47 47.49 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.339 -1.744 . . . . 0.0 109.857 -179.026 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.693 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 127.16 2.787 . . . . 0.0 110.375 175.77 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.44 79.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.396 -0.815 . . . . 0.0 110.732 176.988 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.81 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.362 1.065 . . . . 0.0 111.523 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.38 89.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.085 1.49 . . . . 0.0 109.291 178.509 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.94 83.78 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.05 87.07 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 117.989 0.359 . . . . 0.0 111.204 176.858 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.2 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.395 -1.441 . . . . 0.0 110.817 176.011 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.51 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.555 2.598 . . . . 0.0 109.003 179.47 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.72 66.72 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.75 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.42 17.94 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 -175.642 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.33 8.12 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.105 2.684 . . . . 0.0 113.982 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.44 90.12 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.897 2.319 . . . . 0.0 118.897 176.534 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.28 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.126 2.551 . . . . 0.0 110.935 178.222 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.17 92.75 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.716 0.944 . . . . 0.0 113.417 -179.383 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.981 -1.699 . . . . 0.0 112.19 -177.429 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.481 -1.387 . . . . 0.0 112.06 178.71 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.294 1.997 . . . . 0.0 115.669 -177.648 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.139 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.21 50.89 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.456 1.025 . . . . 0.0 109.979 -177.561 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.152 1.533 . . . . 0.0 111.913 -177.546 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.65 18.96 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.485 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.794 177.398 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.56 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.324 2.868 . . . . 0.0 117.535 -179.449 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.687 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.55 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.38 37.49 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.737 -1.125 . . . . 0.0 110.035 -175.9 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.7 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 125.054 1.471 . . . . 0.0 109.982 -177.75 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.13 30.11 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 -175.831 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.83 85.26 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -177.307 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.01 -1.877 . . . . 0.0 107.977 176.514 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.157 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.117 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.63 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.138 -179.49 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.32 70.49 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.419 1.104 . . . . 0.0 110.666 179.816 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.62 51.48 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.998 179.293 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.4 18.4 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.529 1.968 . . . . 0.0 111.184 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.183 175.812 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.086 2.116 . . . . 0.0 109.517 -176.866 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.74 143.05 26.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.24 1.495 . . . . 0.0 109.23 -176.92 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.16 10.64 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 179.453 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.797 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.73 52.21 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.955 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.73 -2.557 . . . . 0.0 105.695 175.063 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.81 46.39 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 127.348 2.905 . . . . 0.0 105.934 177.896 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.594 -1.193 . . . . 0.0 111.488 176.611 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.114 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.2 0.524 . . . . 0.0 109.866 178.384 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 139.74 31.8 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.259 0 CA-C-O 113.393 -3.194 . . . . 0.0 105.495 -179.448 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.968 2.668 . . . . 0.0 108.941 178.28 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.411 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.436 4.835 . . . . 0.0 108.792 179.564 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.22 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.417 -3.182 . . . . 0.0 105.543 175.808 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.48 41.27 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.349 4.156 . . . . 0.0 108.035 -178.142 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.46 170.75 8.4 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.73 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.033 0.833 . . . . 0.0 112.584 -177.925 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 15.02 30.16 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.992 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.48 80.31 Favored Glycine 0 C--N 1.296 -1.641 0 O-C-N 120.16 -1.588 . . . . 0.0 116.126 179.757 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.935 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.589 2.431 . . . . 0.0 105.993 176.157 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.629 3.081 . . . . 0.0 109.083 179.609 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.185 178.16 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.01 44.26 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 115.331 -2.271 . . . . 0.0 108.416 -179.193 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.15 44.27 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.229 4.081 . . . . 0.0 103.523 173.995 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.64 15.86 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 O-C-N 127.711 3.132 . . . . 0.0 111.208 -177.918 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.53 37.74 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 112.143 -2.299 . . . . 0.0 106.3 174.724 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.33 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.566 2.177 . . . . 0.0 111.953 177.713 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.11 59.14 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.894 -177.487 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.47 47.52 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.046 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.41 21.25 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 175.658 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.28 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 127.155 2.784 . . . . 0.0 110.425 175.722 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.36 79.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.409 -0.807 . . . . 0.0 110.71 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.46 86.67 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.336 1.055 . . . . 0.0 111.504 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.52 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.076 1.485 . . . . 0.0 109.272 178.527 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.93 83.69 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.08 87.37 Favored 'General case' 0 C--O 1.279 2.643 0 CA-C-N 117.967 0.348 . . . . 0.0 111.227 176.889 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.31 87.03 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.41 -1.432 . . . . 0.0 110.796 176.02 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.264 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.907 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.6 79.27 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.527 2.584 . . . . 0.0 109.022 179.445 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.74 66.46 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.762 179.178 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 -175.693 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.4 8.1 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 123.133 2.697 . . . . 0.0 113.97 179.808 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.309 0 N-CA-C 118.885 2.314 . . . . 0.0 118.885 176.552 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.05 179.662 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.575 0 C-N-CA 123.142 2.562 . . . . 0.0 110.894 178.213 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.67 Favored 'Trans proline' 0 C--O 1.261 1.66 0 O-C-N 122.873 0.933 . . . . 0.0 113.398 -179.35 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.977 -1.702 . . . . 0.0 112.23 -177.461 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.551 -1.343 . . . . 0.0 112.036 178.714 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 124.351 2.024 . . . . 0.0 115.658 -177.699 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 116.0 24.05 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.139 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.98 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 119.422 1.01 . . . . 0.0 109.972 -177.591 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.147 1.529 . . . . 0.0 111.876 -177.535 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.521 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.94 19.65 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.302 -2.227 . . . . 0.0 110.758 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.57 60.94 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 128.374 2.892 . . . . 0.0 117.505 -179.505 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.655 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.58 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.041 -175.884 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.01 36.72 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.074 1.484 . . . . 0.0 109.999 -177.765 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.16 29.71 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.803 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.85 85.22 Favored Glycine 0 CA--C 1.492 -1.344 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.303 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.028 -1.866 . . . . 0.0 108.024 176.478 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.54 11.68 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.117 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.24 79.23 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.162 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.223 -179.511 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.28 70.54 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.452 1.12 . . . . 0.0 110.715 179.73 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.66 51.52 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.914 179.353 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.39 18.49 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.579 1.99 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.138 -2.363 . . . . 0.0 106.184 175.815 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.05 2.094 . . . . 0.0 109.56 -176.856 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 143.03 26.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.186 1.47 . . . . 0.0 109.26 -176.911 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.395 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 179.483 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.75 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.67 52.11 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.983 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.656 -2.592 . . . . 0.0 105.731 175.002 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.37 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.461 2.976 . . . . 0.0 105.885 177.923 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.767 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.532 176.566 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.125 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 178.462 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.36 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.307 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.502 179.992 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.936 2.648 . . . . 0.0 108.93 178.294 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 173.368 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.63 1 O-C-N 130.479 4.862 . . . . 0.0 108.773 179.585 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.406 -3.187 . . . . 0.0 105.512 175.79 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.51 41.25 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.071 -178.179 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.72 8.4 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -6.97 49.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.023 0.827 . . . . 0.0 112.612 -177.964 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.758 -2.377 . . . . 0.0 111.989 179.962 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.52 80.33 Favored Glycine 0 C--N 1.297 -1.629 0 O-C-N 120.095 -1.628 . . . . 0.0 116.141 179.745 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.964 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.543 2.402 . . . . 0.0 105.998 176.159 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 127.552 3.033 . . . . 0.0 109.086 179.615 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.76 36.73 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 117.288 -1.765 . . . . 0.0 108.281 178.122 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.06 44.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.449 -179.191 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.203 4.065 . . . . 0.0 103.587 174.003 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.684 3.115 . . . . 0.0 111.274 -177.937 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.207 -2.27 . . . . 0.0 106.341 174.705 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 111.972 177.684 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.916 -177.522 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 175.734 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.29 77.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 127.232 2.832 . . . . 0.0 110.372 175.803 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.48 79.14 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.367 -0.833 . . . . 0.0 110.734 176.979 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.4 87.15 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 124.349 1.06 . . . . 0.0 111.526 -179.625 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.45 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.06 1.475 . . . . 0.0 109.273 178.532 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.84 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.802 -179.751 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.07 87.35 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.978 0.354 . . . . 0.0 111.227 176.841 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.28 86.94 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 120.401 -1.437 . . . . 0.0 110.795 176.024 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.928 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.6 79.23 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.492 2.568 . . . . 0.0 109.007 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.38 -41.83 66.28 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.734 179.137 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.64 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.34 8.07 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.522 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.244 0.791 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.05 136.97 79.83 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.189 2.593 . . . . 0.0 110.892 178.187 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.65 Favored 'Trans proline' 0 C--O 1.262 1.698 0 C-N-CA 120.672 0.915 . . . . 0.0 113.37 -179.344 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 119.984 -1.697 . . . . 0.0 112.204 -177.437 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.534 -1.354 . . . . 0.0 112.043 178.678 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.76 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.647 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.88 Favored 'General case' 0 C--O 1.296 3.514 0 N-CA-C 104.91 -2.256 . . . . 0.0 104.91 172.115 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.485 1.039 . . . . 0.0 109.962 -177.547 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.119 1.512 . . . . 0.0 111.913 -177.491 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.17 129.72 19.05 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.482 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.98 19.4 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.289 -2.232 . . . . 0.0 110.718 177.349 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.59 60.97 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.349 2.88 . . . . 0.0 117.451 -179.555 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.69 46.29 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.66 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.533 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.006 -175.864 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.98 36.73 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.091 1.495 . . . . 0.0 109.977 -177.732 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.19 29.77 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.81 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.29 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.372 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.004 -1.88 . . . . 0.0 107.988 176.514 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.151 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.144 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.169 -179.464 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.25 70.65 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.462 1.125 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.66 51.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.709 -1.139 . . . . 0.0 113.01 179.268 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.35 18.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.528 1.967 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.097 -2.382 . . . . 0.0 106.183 175.784 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.151 2.157 . . . . 0.0 109.545 -176.861 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -54.73 143.02 26.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.248 1.499 . . . . 0.0 109.288 -176.941 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.14 10.62 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 179.515 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.54 34.52 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.795 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.7 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.9 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.703 -2.57 . . . . 0.0 105.729 174.998 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.181 0 O-C-N 127.418 2.949 . . . . 0.0 105.873 177.929 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.781 0 CA-C-O 117.598 -1.191 . . . . 0.0 111.526 176.577 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.076 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 178.479 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.257 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.492 179.107 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.22 31.76 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.959 2.662 . . . . 0.0 108.935 178.313 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.378 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.684 1 O-C-N 130.442 4.839 . . . . 0.0 108.766 179.58 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.497 175.843 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.52 41.29 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.379 4.174 . . . . 0.0 108.057 -178.174 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.03 49.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.023 0.827 . . . . 0.0 112.621 -177.976 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.98 30.27 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.957 179.957 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.49 80.32 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.121 -1.612 . . . . 0.0 116.132 179.711 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.06 34.48 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.02 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.8 55.39 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.621 2.451 . . . . 0.0 106.011 176.166 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.621 3.075 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.74 36.65 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.192 178.143 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.378 -2.248 . . . . 0.0 108.437 -179.193 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.188 4.055 . . . . 0.0 103.527 174.001 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.632 3.082 . . . . 0.0 111.232 -177.937 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.76 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.284 174.729 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.42 39.76 Favored 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 122.502 2.135 . . . . 0.0 111.959 177.682 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.886 -177.504 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.89 -179.043 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.42 21.19 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.232 2.832 . . . . 0.0 110.334 175.776 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.349 -0.844 . . . . 0.0 110.755 176.993 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.39 86.99 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.323 1.049 . . . . 0.0 111.521 -179.651 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.4 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 125.098 1.499 . . . . 0.0 109.305 178.547 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.93 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 117.973 0.351 . . . . 0.0 111.226 176.884 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 87.01 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.383 -1.448 . . . . 0.0 110.819 176.014 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.869 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.58 79.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 125.552 2.596 . . . . 0.0 108.995 179.487 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.54 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 113.648 -1.614 . . . . 0.0 111.75 179.179 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.41 17.93 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -175.638 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.08 2.673 . . . . 0.0 113.929 179.833 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 5.39 90.09 Favored Glycine 0 CA--C 1.478 -2.267 0 N-CA-C 118.852 2.301 . . . . 0.0 118.852 176.511 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.79 124.84 83.22 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.829 -1.148 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.566 0 C-N-CA 123.126 2.551 . . . . 0.0 110.909 178.229 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.19 92.82 Favored 'Trans proline' 0 C--O 1.262 1.685 0 C-N-CA 120.713 0.942 . . . . 0.0 113.409 -179.351 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 120.001 -1.687 . . . . 0.0 112.232 -177.422 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.79 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.455 -1.403 . . . . 0.0 112.072 178.699 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.26 1.981 . . . . 0.0 115.626 -177.637 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.93 23.96 Favored 'General case' 0 C--O 1.296 3.51 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 172.082 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.417 1.008 . . . . 0.0 109.983 -177.591 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 125.14 1.525 . . . . 0.0 111.881 -177.512 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.5 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.51 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.744 177.35 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.6 60.94 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.352 2.882 . . . . 0.0 117.51 -179.515 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 177.73 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 174.539 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.32 37.51 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.02 -175.882 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.02 36.68 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.092 1.495 . . . . 0.0 109.937 -177.744 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.18 29.89 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.833 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.492 -1.378 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.315 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.57 16.99 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 119.967 -1.902 . . . . 0.0 107.981 176.487 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.094 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.24 79.29 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.161 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.154 -179.482 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.34 70.62 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.474 1.131 . . . . 0.0 110.737 179.724 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.695 -1.145 . . . . 0.0 113.016 179.262 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.3 18.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.532 1.969 . . . . 0.0 111.195 179.857 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.15 175.832 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.12 2.138 . . . . 0.0 109.497 -176.827 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 39.2 ttmt -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.199 1.476 . . . . 0.0 109.271 -176.92 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.19 10.6 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 179.42 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.765 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.95 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.74 -2.552 . . . . 0.0 105.739 174.985 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.79 46.42 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.398 2.936 . . . . 0.0 105.905 177.94 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.779 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.509 176.587 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.94 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.128 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.183 0.516 . . . . 0.0 109.815 178.486 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 132.13 41.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.294 0 CA-C-O 113.363 -3.208 . . . . 0.0 105.531 174.262 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 126.936 2.648 . . . . 0.0 108.886 178.31 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.379 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.26 49.42 Favored 'General case' 0 N--CA 1.512 2.629 1 O-C-N 130.469 4.855 . . . . 0.0 108.802 179.518 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 113.447 -3.168 . . . . 0.0 105.476 175.824 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.422 4.201 . . . . 0.0 108.064 -178.164 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.89 49.24 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.004 0.815 . . . . 0.0 112.581 -177.903 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 115.821 -2.352 . . . . 0.0 111.991 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.53 80.3 Favored Glycine 0 C--N 1.298 -1.579 0 O-C-N 120.133 -1.604 . . . . 0.0 116.108 179.76 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.969 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.607 2.442 . . . . 0.0 106.013 176.123 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 127.616 3.073 . . . . 0.0 109.077 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.6 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.253 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.27 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.39 -2.243 . . . . 0.0 108.414 -179.165 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.46 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.193 4.058 . . . . 0.0 103.625 173.951 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.697 3.123 . . . . 0.0 111.206 -177.876 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.332 174.676 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.45 39.17 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.591 2.194 . . . . 0.0 111.963 177.689 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.868 -177.493 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.345 -1.742 . . . . 0.0 109.878 -179.089 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.43 21.24 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.699 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.221 2.826 . . . . 0.0 110.374 175.779 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.292 -0.88 . . . . 0.0 110.773 176.957 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.3 1.04 . . . . 0.0 111.532 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.066 1.479 . . . . 0.0 109.352 178.484 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.96 83.8 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.08 87.32 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 118.048 0.385 . . . . 0.0 111.198 176.903 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.98 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 120.368 -1.458 . . . . 0.0 110.793 176.015 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.925 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.55 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 125.487 2.565 . . . . 0.0 109.013 179.454 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.68 66.71 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.746 179.155 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.46 17.94 Favored 'General case' 0 C--O 1.279 2.639 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.696 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.122 2.692 . . . . 0.0 113.973 179.792 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.42 90.1 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.54 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.021 179.708 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.57 Favored 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 123.191 2.594 . . . . 0.0 110.9 178.211 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.18 92.8 Favored 'Trans proline' 0 C--O 1.263 1.731 0 O-C-N 122.906 0.951 . . . . 0.0 113.394 -179.362 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.976 -1.702 . . . . 0.0 112.225 -177.445 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.84 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.477 -1.39 . . . . 0.0 112.014 178.694 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.378 2.037 . . . . 0.0 115.606 -177.621 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.04 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 172.119 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.68 130.27 51.13 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.454 1.024 . . . . 0.0 109.997 -177.508 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 125.23 1.581 . . . . 0.0 111.912 -177.486 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.543 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.06 19.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.774 177.399 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.59 60.85 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.319 2.866 . . . . 0.0 117.505 -179.502 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.675 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.796 -2.668 . . . . 0.0 103.796 174.564 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.728 -1.13 . . . . 0.0 110.023 -175.883 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.07 1.481 . . . . 0.0 109.938 -177.69 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.68 Favored 'General case' 0 C--O 1.266 1.931 0 N-CA-C 120.711 3.597 . . . . 0.0 120.711 -175.827 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 -177.367 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.54 17.03 Favored 'General case' 0 C--O 1.25 1.086 0 O-C-N 119.952 -1.91 . . . . 0.0 108.032 176.487 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.134 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.24 79.25 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.162 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.63 70.8 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.176 -179.48 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.52 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.498 1.142 . . . . 0.0 110.775 179.698 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.65 51.5 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.007 179.271 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.43 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 121.549 1.977 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.164 175.831 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.111 2.132 . . . . 0.0 109.535 -176.868 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -54.74 143.06 26.47 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 123.208 1.48 . . . . 0.0 109.272 -176.906 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.465 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 174.819 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.63 52.05 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.965 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.62 19.11 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.73 174.995 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.87 177.919 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.79 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.552 176.541 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.102 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.188 0.518 . . . . 0.0 109.85 178.4 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.583 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.84 35.98 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.243 0 CA-C-O 113.377 -3.202 . . . . 0.0 105.487 -179.871 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.25 31.74 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.933 2.645 . . . . 0.0 108.914 178.347 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.396 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.24 49.44 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.457 4.848 . . . . 0.0 108.797 179.54 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.13 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.479 175.869 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.47 41.17 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.429 4.206 . . . . 0.0 108.107 -178.201 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.78 8.37 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.92 49.51 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.012 0.82 . . . . 0.0 112.595 -177.939 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.021 179.952 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.38 Favored Glycine 0 C--N 1.298 -1.559 0 O-C-N 120.186 -1.571 . . . . 0.0 116.167 179.765 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.11 34.35 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 175.011 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.585 2.428 . . . . 0.0 106.053 176.127 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 127.629 3.081 . . . . 0.0 109.037 179.666 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.229 178.094 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.02 44.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 115.391 -2.242 . . . . 0.0 108.449 -179.189 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.24 44.5 Favored 'General case' 0 N--CA 1.499 2.016 1 O-C-N 129.142 4.026 . . . . 0.0 103.581 173.981 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.63 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.7 3.125 . . . . 0.0 111.218 -177.879 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.972 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.348 174.675 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.49 39.75 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.52 2.146 . . . . 0.0 111.969 177.73 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -177.478 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.5 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.361 -1.736 . . . . 0.0 109.88 -179.043 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.72 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.197 2.81 . . . . 0.0 110.374 175.754 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.4 79.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.407 -0.808 . . . . 0.0 110.747 176.963 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.46 86.95 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.298 1.039 . . . . 0.0 111.515 -179.609 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 125.104 1.502 . . . . 0.0 109.337 178.495 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.99 83.75 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.03 87.18 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 118.012 0.369 . . . . 0.0 111.264 176.851 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.343 -1.473 . . . . 0.0 110.792 175.983 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.42 77.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.58 79.32 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.512 2.577 . . . . 0.0 109.065 179.429 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.55 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.624 -1.625 . . . . 0.0 111.712 179.135 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.42 17.98 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.673 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.12 2.691 . . . . 0.0 113.929 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.13 Favored Glycine 0 CA--C 1.477 -2.289 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.513 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.055 179.648 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.91 79.44 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.174 2.583 . . . . 0.0 110.9 178.196 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.66 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 122.858 0.925 . . . . 0.0 113.405 -179.371 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.925 -1.734 . . . . 0.0 112.2 -177.461 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.76 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.515 -1.365 . . . . 0.0 112.011 178.689 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.75 34.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 124.292 1.996 . . . . 0.0 115.631 -177.661 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.5 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.093 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.454 1.025 . . . . 0.0 110.006 -177.615 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.139 1.524 . . . . 0.0 111.925 -177.527 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.69 18.9 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.518 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.01 19.3 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.777 177.417 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.51 61.06 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.371 2.891 . . . . 0.0 117.532 -179.477 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.68 46.3 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.686 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.555 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.44 37.51 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.009 -175.859 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.082 1.489 . . . . 0.0 109.916 -177.714 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.96 85.15 Favored Glycine 0 CA--C 1.492 -1.348 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.312 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.53 17.1 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 120.051 -1.852 . . . . 0.0 108.021 176.49 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.071 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 177.187 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.131 -179.457 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.33 70.55 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.495 1.141 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.31 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.969 179.307 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.39 18.53 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.536 1.971 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.36 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.11 -2.376 . . . . 0.0 106.18 175.823 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 126.064 2.103 . . . . 0.0 109.53 -176.841 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 0.1 OUTLIER -54.71 143.05 26.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.137 1.446 . . . . 0.0 109.287 -176.908 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 179.499 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 174.791 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.22 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.968 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.6 19.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.658 -2.591 . . . . 0.0 105.751 175.008 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.38 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 127.426 2.954 . . . . 0.0 105.888 177.902 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.515 176.59 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.606 -2.739 . . . . 0.0 103.606 175.135 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 178.499 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.07 32.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.329 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.526 -179.685 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 126.963 2.664 . . . . 0.0 108.952 178.326 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 162.99 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.386 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.2 49.47 Favored 'General case' 0 N--CA 1.511 2.618 1 O-C-N 130.451 4.844 . . . . 0.0 108.798 179.575 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.506 175.825 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.5 41.18 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.382 4.176 . . . . 0.0 108.057 -178.191 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.96 49.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.053 0.845 . . . . 0.0 112.606 -177.928 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.974 179.918 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.43 80.32 Favored Glycine 0 C--N 1.297 -1.601 0 O-C-N 120.136 -1.602 . . . . 0.0 116.143 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.01 34.47 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 174.972 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.77 55.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.595 2.435 . . . . 0.0 106.024 176.142 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 127.628 3.08 . . . . 0.0 109.076 179.656 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.6 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.226 178.153 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.05 44.22 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 115.365 -2.255 . . . . 0.0 108.475 -179.207 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.4 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.176 4.048 . . . . 0.0 103.59 174.0 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.67 3.106 . . . . 0.0 111.256 -177.911 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.06 144.51 37.82 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.309 174.701 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.5 39.27 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.516 2.144 . . . . 0.0 111.944 177.712 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.901 -177.511 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.53 47.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.897 -179.038 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.46 21.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.681 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.27 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.186 2.804 . . . . 0.0 110.401 175.734 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.04 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.341 -0.85 . . . . 0.0 110.72 176.999 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.49 87.06 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.301 1.04 . . . . 0.0 111.494 -179.594 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.069 1.481 . . . . 0.0 109.297 178.511 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.92 83.61 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.783 -179.764 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.33 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-N 117.965 0.348 . . . . 0.0 111.177 176.884 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.18 -37.4 87.34 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.347 -1.471 . . . . 0.0 110.814 176.043 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.58 79.49 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.515 2.579 . . . . 0.0 108.982 179.446 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.68 66.63 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.772 179.14 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.691 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 -175.677 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.149 2.704 . . . . 0.0 113.961 179.802 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.478 -2.224 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.779 -1.169 . . . . 0.0 111.003 179.712 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.164 2.576 . . . . 0.0 110.906 178.223 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.14 92.61 Favored 'Trans proline' 0 C--O 1.262 1.696 0 C-N-CA 120.695 0.93 . . . . 0.0 113.417 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.926 -1.734 . . . . 0.0 112.218 -177.44 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.46 28.99 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.494 -1.379 . . . . 0.0 112.01 178.778 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.342 2.02 . . . . 0.0 115.584 -177.596 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.296 3.546 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.98 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.482 1.037 . . . . 0.0 110.016 -177.568 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.81 72.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.129 1.518 . . . . 0.0 111.935 -177.529 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.73 19.02 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.522 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.11 19.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 112.227 -2.261 . . . . 0.0 110.745 177.359 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.62 60.86 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 128.387 2.898 . . . . 0.0 117.487 -179.515 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.664 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.54 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.36 37.52 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.028 -175.909 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.72 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.031 1.457 . . . . 0.0 109.931 -177.749 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.17 29.62 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.9 85.22 Favored Glycine 0 CA--C 1.491 -1.438 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 119.976 -1.897 . . . . 0.0 108.005 176.527 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 177.127 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.27 79.47 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.151 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.81 -29.6 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.273 -1.771 . . . . 0.0 112.191 -179.534 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.31 70.6 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.528 1.156 . . . . 0.0 110.749 179.753 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.67 51.49 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.264 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.59 1.995 . . . . 0.0 111.19 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.212 175.77 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.107 2.13 . . . . 0.0 109.5 -176.831 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.61 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.163 1.458 . . . . 0.0 109.286 -176.881 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.24 10.67 Favored 'General case' 0 C--O 1.255 1.387 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 179.486 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.53 34.49 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.77 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.72 52.21 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.93 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.64 19.13 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.75 -2.548 . . . . 0.0 105.695 175.034 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.39 Favored 'General case' 0 C--N 1.286 -2.174 0 O-C-N 127.391 2.932 . . . . 0.0 105.877 177.929 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.579 -1.201 . . . . 0.0 111.537 176.596 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.149 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.161 0.505 . . . . 0.0 109.833 178.442 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.0 35.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.321 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.501 179.436 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 127.009 2.693 . . . . 0.0 108.912 178.283 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 173.389 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.57 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.542 175.796 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.2 127.51 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.156 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.37 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.801 -1.095 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.95 49.58 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.092 0.87 . . . . 0.0 112.597 -177.979 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.006 179.955 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.42 80.36 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.129 -1.607 . . . . 0.0 116.169 179.777 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.06 34.42 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 174.994 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 126.648 2.467 . . . . 0.0 105.964 176.167 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 127.569 3.043 . . . . 0.0 109.066 179.595 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.24 178.096 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.03 44.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.332 -2.27 . . . . 0.0 108.394 -179.137 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.259 4.1 . . . . 0.0 103.53 174.031 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.68 15.75 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.657 3.098 . . . . 0.0 111.21 -177.912 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.54 37.84 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.56 2.173 . . . . 0.0 111.981 177.689 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.17 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.86 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.45 47.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.839 -179.021 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.72 160.4 21.3 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.668 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 O-C-N 127.167 2.792 . . . . 0.0 110.398 175.797 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.46 78.99 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.383 -0.823 . . . . 0.0 110.746 176.969 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.47 87.13 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.299 1.04 . . . . 0.0 111.512 -179.641 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.085 1.491 . . . . 0.0 109.339 178.5 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.02 83.81 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.746 -179.748 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.21 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.013 0.369 . . . . 0.0 111.268 176.869 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.424 -1.423 . . . . 0.0 110.819 176.01 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.55 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.93 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.48 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.572 2.606 . . . . 0.0 109.048 179.485 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.761 179.122 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.64 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.36 8.09 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 123.097 2.68 . . . . 0.0 113.99 179.814 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.279 0 N-CA-C 118.918 2.327 . . . . 0.0 118.918 176.553 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.35 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.97 79.89 Favored 'Trans proline' 0 C--O 1.259 1.559 0 C-N-CA 123.133 2.556 . . . . 0.0 110.901 178.204 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.18 92.86 Favored 'Trans proline' 0 C--O 1.263 1.725 0 O-C-N 122.891 0.943 . . . . 0.0 113.411 -179.397 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.895 -1.753 . . . . 0.0 112.197 -177.412 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.92 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.516 -1.365 . . . . 0.0 112.048 178.735 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.334 2.016 . . . . 0.0 115.608 -177.674 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 172.11 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.32 51.08 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.511 1.05 . . . . 0.0 110.003 -177.577 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.249 1.593 . . . . 0.0 111.895 -177.482 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.385 -2.079 . . . . 0.0 105.385 177.502 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.243 -2.253 . . . . 0.0 110.782 177.37 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.96 Favored Glycine 0 N--CA 1.433 -1.526 0 C-N-CA 128.342 2.877 . . . . 0.0 117.488 -179.522 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.67 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 174.52 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.051 -175.894 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.71 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.026 1.454 . . . . 0.0 109.956 -177.731 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.8 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.794 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.87 85.27 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.334 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.54 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.99 -1.888 . . . . 0.0 108.034 176.506 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.165 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.1 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.175 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.18 -179.473 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.61 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 122.474 1.13 . . . . 0.0 110.718 179.75 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.56 51.69 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.978 179.288 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.36 18.34 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 121.581 1.991 . . . . 0.0 111.2 179.895 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.157 175.824 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.145 2.153 . . . . 0.0 109.502 -176.833 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 24.9 ttpp -54.81 143.07 26.79 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 123.253 1.502 . . . . 0.0 109.283 -176.948 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 179.514 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.796 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.29 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.964 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.757 174.951 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.41 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.397 2.936 . . . . 0.0 105.941 177.932 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.645 -1.169 . . . . 0.0 111.477 176.648 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.91 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.11 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.169 0.509 . . . . 0.0 109.829 178.468 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 133.7 39.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.299 0 CA-C-O 113.379 -3.2 . . . . 0.0 105.524 174.365 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 126.987 2.679 . . . . 0.0 108.906 178.333 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 173.34 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.22 49.46 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.425 4.828 . . . . 0.0 108.78 179.574 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.456 175.849 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.54 41.29 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.379 4.174 . . . . 0.0 108.082 -178.201 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.71 8.41 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.99 49.79 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.069 0.856 . . . . 0.0 112.596 -177.95 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.991 179.927 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.118 -1.613 . . . . 0.0 116.169 179.786 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.44 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 174.977 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.677 2.486 . . . . 0.0 106.018 176.135 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 127.608 3.068 . . . . 0.0 109.017 179.699 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.8 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.266 -1.774 . . . . 0.0 108.261 178.085 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.418 -179.189 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.47 Favored 'General case' 0 N--CA 1.498 1.965 1 O-C-N 129.175 4.047 . . . . 0.0 103.578 174.014 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.748 3.155 . . . . 0.0 111.206 -177.886 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.162 -2.29 . . . . 0.0 106.374 174.629 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.35 Favored 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 122.537 2.158 . . . . 0.0 111.96 177.747 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.951 -177.559 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.46 47.56 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.34 -1.744 . . . . 0.0 109.854 -179.045 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.42 21.25 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.702 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 O-C-N 127.184 2.803 . . . . 0.0 110.368 175.829 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.385 -0.822 . . . . 0.0 110.744 176.995 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.94 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.329 1.052 . . . . 0.0 111.513 -179.65 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.108 1.505 . . . . 0.0 109.292 178.539 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.69 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 -179.741 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.99 87.03 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.001 0.364 . . . . 0.0 111.209 176.891 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 120.355 -1.466 . . . . 0.0 110.803 176.025 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.49 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.61 79.26 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.475 2.559 . . . . 0.0 109.019 179.476 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.43 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.745 179.161 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.93 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.686 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.086 2.676 . . . . 0.0 113.972 179.838 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.28 5.29 90.14 Favored Glycine 0 CA--C 1.478 -2.278 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.55 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.29 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.791 -1.163 . . . . 0.0 111.048 179.662 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.89 79.33 Favored 'Trans proline' 0 C--O 1.259 1.545 0 C-N-CA 123.097 2.531 . . . . 0.0 110.928 178.228 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.699 0 O-C-N 122.84 0.916 . . . . 0.0 113.431 -179.323 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.96 -1.712 . . . . 0.0 112.225 -177.444 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.48 28.92 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.472 -1.392 . . . . 0.0 112.03 178.719 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.295 1.998 . . . . 0.0 115.669 -177.726 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.95 23.98 Favored 'General case' 0 C--O 1.296 3.504 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.094 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.25 51.0 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.435 1.016 . . . . 0.0 110.032 -177.573 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.8 72.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 O-C-N 125.117 1.511 . . . . 0.0 111.932 -177.503 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.734 177.364 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.63 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.375 2.893 . . . . 0.0 117.536 -179.5 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.684 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 174.565 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.41 37.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.046 -175.884 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.96 36.8 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 125.054 1.471 . . . . 0.0 109.987 -177.759 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.16 -42.29 29.16 Favored 'General case' 0 C--O 1.266 1.93 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.838 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.9 85.26 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.287 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.6 17.02 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.993 -1.886 . . . . 0.0 107.978 176.506 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.137 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.22 79.38 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.21 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.61 70.78 Favored 'General case' 0 C--O 1.267 2.022 0 C-N-CA 117.309 -1.756 . . . . 0.0 112.18 -179.477 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.57 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.486 1.136 . . . . 0.0 110.701 179.809 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.967 179.294 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.37 18.62 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.563 1.983 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.066 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.163 175.801 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 126.077 2.11 . . . . 0.0 109.534 -176.868 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 27.3 ttpp -54.77 143.06 26.65 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.197 1.475 . . . . 0.0 109.221 -176.894 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.508 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.95 19.18 10.63 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 179.443 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.802 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.66 52.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.948 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.71 175.001 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.73 46.54 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.413 2.946 . . . . 0.0 105.88 177.951 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.581 -1.199 . . . . 0.0 111.545 176.529 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.96 28.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.154 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.215 0.531 . . . . 0.0 109.817 178.457 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 134.17 39.42 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.288 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.535 179.907 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.924 2.64 . . . . 0.0 108.901 178.294 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.0 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 173.366 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.17 49.51 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.463 4.852 . . . . 0.0 108.816 179.559 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.534 175.848 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.45 41.14 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.398 4.186 . . . . 0.0 108.081 -178.176 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.79 8.36 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.9 49.39 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.042 0.839 . . . . 0.0 112.573 -177.957 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.828 -2.349 . . . . 0.0 111.98 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.33 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.125 -1.61 . . . . 0.0 116.13 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.989 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.621 2.451 . . . . 0.0 106.003 176.155 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.554 3.034 . . . . 0.0 109.002 179.648 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.225 -1.79 . . . . 0.0 108.258 178.072 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.372 -2.252 . . . . 0.0 108.405 -179.151 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.18 44.34 Favored 'General case' 0 N--CA 1.498 1.972 1 O-C-N 129.169 4.043 . . . . 0.0 103.579 173.976 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.59 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.747 3.154 . . . . 0.0 111.215 -177.928 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.47 37.55 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.113 -2.312 . . . . 0.0 106.333 174.682 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 122.52 2.147 . . . . 0.0 111.968 177.725 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.53 47.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.873 -179.037 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.706 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.3 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.179 2.799 . . . . 0.0 110.347 175.753 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.48 78.94 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.685 177.04 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.16 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.301 1.041 . . . . 0.0 111.542 -179.616 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.45 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.042 1.464 . . . . 0.0 109.325 178.472 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.83 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.788 -179.78 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.06 87.24 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 118.003 0.365 . . . . 0.0 111.205 176.863 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 120.449 -1.407 . . . . 0.0 110.802 176.034 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.04 -39.4 77.23 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.64 79.12 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.51 2.576 . . . . 0.0 108.978 179.501 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.42 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.763 179.134 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.28 2.67 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.673 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.185 2.72 . . . . 0.0 113.957 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.34 90.15 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.859 2.304 . . . . 0.0 118.859 176.501 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.88 83.36 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.821 -1.152 . . . . 0.0 110.986 179.706 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.85 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.193 2.596 . . . . 0.0 110.878 178.18 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.31 -32.1 92.81 Favored 'Trans proline' 0 C--O 1.262 1.682 0 C-N-CA 120.67 0.914 . . . . 0.0 113.428 -179.356 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.952 -1.718 . . . . 0.0 112.18 -177.447 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.48 28.9 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.493 -1.38 . . . . 0.0 112.069 178.684 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.67 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.312 2.006 . . . . 0.0 115.652 -177.659 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.98 24.03 Favored 'General case' 0 C--O 1.295 3.497 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 172.095 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.441 1.019 . . . . 0.0 109.961 -177.533 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.168 1.542 . . . . 0.0 111.951 -177.537 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 177.53 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.96 19.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.785 177.374 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.55 61.18 Favored Glycine 0 N--CA 1.432 -1.574 0 C-N-CA 128.399 2.904 . . . . 0.0 117.453 -179.512 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.706 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.37 37.52 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.702 -1.142 . . . . 0.0 110.053 -175.907 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 125.094 1.496 . . . . 0.0 110.006 -177.726 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.28 29.35 Favored 'General case' 0 C--O 1.266 1.921 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.801 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.295 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.52 17.07 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.965 -1.903 . . . . 0.0 107.974 176.525 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.104 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.35 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.184 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.82 -29.7 70.87 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.341 -1.744 . . . . 0.0 112.151 -179.5 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.46 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.422 1.106 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.66 51.46 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 117.726 -1.13 . . . . 0.0 113.021 179.272 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.5 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.531 1.969 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.146 175.863 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.086 2.116 . . . . 0.0 109.551 -176.873 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -54.73 143.0 26.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.231 1.491 . . . . 0.0 109.269 -176.933 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.489 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.829 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.987 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.65 19.09 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 114.684 -2.579 . . . . 0.0 105.757 174.981 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.43 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.419 2.949 . . . . 0.0 105.892 177.917 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.787 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.498 176.593 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.112 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.181 0.515 . . . . 0.0 109.823 178.472 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.54 37.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.292 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.492 -178.024 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 127.027 2.705 . . . . 0.0 108.942 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 173.438 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.65 1 O-C-N 130.454 4.846 . . . . 0.0 108.787 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.533 175.818 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.5 41.2 Favored 'General case' 0 N--CA 1.504 2.23 1 O-C-N 129.387 4.179 . . . . 0.0 108.045 -178.135 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.027 0.83 . . . . 0.0 112.561 -177.917 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.3 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.994 179.971 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.52 80.3 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.196 -1.565 . . . . 0.0 116.141 179.803 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 174.96 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.599 2.437 . . . . 0.0 105.999 176.185 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.586 3.054 . . . . 0.0 109.041 179.67 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 117.205 -1.798 . . . . 0.0 108.172 178.17 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.07 44.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.425 -179.217 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.22 44.43 Favored 'General case' 0 N--CA 1.499 1.98 1 O-C-N 129.207 4.067 . . . . 0.0 103.561 174.032 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.66 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.669 3.105 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.55 37.85 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 112.157 -2.292 . . . . 0.0 106.338 174.697 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.43 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.584 2.189 . . . . 0.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.909 -177.524 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.46 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.879 -179.024 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.38 21.29 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 175.753 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.217 2.823 . . . . 0.0 110.362 175.81 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.14 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.342 -0.849 . . . . 0.0 110.75 176.941 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.354 1.062 . . . . 0.0 111.518 -179.655 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.39 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.123 1.514 . . . . 0.0 109.291 178.543 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.88 -37.9 83.76 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.775 -179.797 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.02 87.03 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 118.02 0.373 . . . . 0.0 111.217 176.894 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.39 87.29 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.446 -1.409 . . . . 0.0 110.802 176.025 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.51 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.12 -48.59 79.45 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.464 2.554 . . . . 0.0 109.006 179.494 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.71 66.68 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.701 179.148 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.48 17.96 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.662 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.29 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.149 2.704 . . . . 0.0 113.969 179.779 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.508 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.01 179.706 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.26 1.585 0 C-N-CA 123.187 2.591 . . . . 0.0 110.953 178.206 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.79 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.909 0.952 . . . . 0.0 113.409 -179.354 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 120.02 -1.675 . . . . 0.0 112.183 -177.415 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.78 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.567 -1.333 . . . . 0.0 112.011 178.715 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.301 2.0 . . . . 0.0 115.595 -177.635 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.97 24.03 Favored 'General case' 0 C--O 1.296 3.507 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.119 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.04 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 119.443 1.019 . . . . 0.0 109.983 -177.563 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.139 1.524 . . . . 0.0 111.927 -177.542 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.93 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.518 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.229 -2.259 . . . . 0.0 110.788 177.369 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.48 61.03 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.352 2.882 . . . . 0.0 117.536 -179.464 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.717 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.81 130.25 34.61 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.54 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.017 -175.875 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 125.076 1.485 . . . . 0.0 109.958 -177.725 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.705 3.594 . . . . 0.0 120.705 -175.856 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.88 85.2 Favored Glycine 0 CA--C 1.491 -1.411 0 N-CA-C 116.097 1.199 . . . . 0.0 116.097 -177.335 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.55 17.07 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.05 -1.853 . . . . 0.0 107.997 176.533 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.266 -1.773 . . . . 0.0 112.2 -179.501 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.38 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.443 1.116 . . . . 0.0 110.685 179.793 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.71 51.32 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.711 -1.138 . . . . 0.0 112.971 179.311 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.28 18.5 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 121.578 1.99 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.063 0 CA-C-O 115.139 -2.363 . . . . 0.0 106.174 175.828 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.07 2.106 . . . . 0.0 109.57 -176.879 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 63' ' ' LYS . 15.1 ptpt -54.67 143.01 26.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 123.168 1.461 . . . . 0.0 109.275 -176.949 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.23 10.67 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.441 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.51 34.55 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.771 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.952 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.65 19.12 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.745 174.999 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.394 2.934 . . . . 0.0 105.876 177.969 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.798 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.492 176.611 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.95 28.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.133 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 178.434 . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.73 38.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.303 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.498 -179.032 . . . . . . . . 0 0 . 1 . 062 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.11 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.977 2.673 . . . . 0.0 108.9 178.323 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.393 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.98 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.419 4.824 . . . . 0.0 108.805 179.563 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.513 175.826 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.237 1 O-C-N 129.372 4.17 . . . . 0.0 108.081 -178.159 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.92 49.41 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.002 0.814 . . . . 0.0 112.572 -177.921 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.03 30.14 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.837 -2.345 . . . . 0.0 112.026 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.53 80.37 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.156 -1.59 . . . . 0.0 116.158 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.05 34.47 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.952 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.575 2.422 . . . . 0.0 105.993 176.165 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.93 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 127.599 3.062 . . . . 0.0 109.027 179.654 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.8 36.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.22 178.106 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.337 -2.268 . . . . 0.0 108.442 -179.167 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.21 44.43 Favored 'General case' 0 N--CA 1.498 1.964 1 O-C-N 129.193 4.058 . . . . 0.0 103.557 173.995 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 O-C-N 127.742 3.151 . . . . 0.0 111.255 -177.904 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.185 -2.28 . . . . 0.0 106.286 174.705 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.45 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.514 2.143 . . . . 0.0 111.933 177.719 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.873 -177.478 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.52 47.52 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.844 -179.016 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 O-C-N 127.166 2.791 . . . . 0.0 110.387 175.772 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.337 -0.852 . . . . 0.0 110.747 176.938 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.44 86.98 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.281 1.033 . . . . 0.0 111.544 -179.633 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.016 1.448 . . . . 0.0 109.285 178.492 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.41 Favored 'General case' 0 C--O 1.278 2.578 0 CA-C-N 118.002 0.364 . . . . 0.0 111.196 176.889 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 120.424 -1.422 . . . . 0.0 110.814 175.996 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.231 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.59 79.32 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.517 2.579 . . . . 0.0 109.007 179.488 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.56 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.38 17.95 Favored 'General case' 0 C--O 1.279 2.605 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -175.66 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.13 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 123.083 2.674 . . . . 0.0 113.926 179.82 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.13 Favored Glycine 0 CA--C 1.478 -2.248 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.535 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.021 179.686 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.92 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.169 2.579 . . . . 0.0 110.929 178.164 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.11 92.6 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.853 0.923 . . . . 0.0 113.434 -179.35 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.815 0 O-C-N 119.993 -1.692 . . . . 0.0 112.205 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.46 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.526 -1.359 . . . . 0.0 112.047 178.671 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.74 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.328 2.014 . . . . 0.0 115.64 -177.633 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.88 23.85 Favored 'General case' 0 C--O 1.295 3.49 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.107 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.436 1.016 . . . . 0.0 109.945 -177.502 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.145 1.528 . . . . 0.0 111.911 -177.51 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.66 18.92 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.478 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.99 19.45 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.282 -2.235 . . . . 0.0 110.764 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.58 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.34 2.876 . . . . 0.0 117.481 -179.534 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.711 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.534 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.39 37.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.011 -175.909 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 139.99 36.79 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 125.052 1.47 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.19 29.54 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.681 3.585 . . . . 0.0 120.681 -175.835 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.86 85.23 Favored Glycine 0 CA--C 1.492 -1.403 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.349 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.996 -1.885 . . . . 0.0 107.987 176.488 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.145 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.29 -36.21 79.44 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.16 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.16 -179.466 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.55 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.487 1.137 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.7 51.44 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.994 179.3 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.29 18.34 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 121.556 1.98 . . . . 0.0 111.169 179.822 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.062 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.838 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 126.059 2.1 . . . . 0.0 109.485 -176.816 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 15.9 ptmt -54.71 143.03 26.45 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.183 1.468 . . . . 0.0 109.239 -176.93 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.1 10.63 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.453 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.829 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.998 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.721 -2.562 . . . . 0.0 105.714 175.005 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.946 . . . . 0.0 105.921 177.913 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.839 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.493 176.644 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.107 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.136 0.493 . . . . 0.0 109.856 178.464 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.06 37.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.274 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.487 -179.916 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 127.011 2.694 . . . . 0.0 108.914 178.336 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.396 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.45 4.843 . . . . 0.0 108.755 179.591 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.525 175.784 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.2 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.381 4.176 . . . . 0.0 108.058 -178.161 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.92 49.46 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.055 0.847 . . . . 0.0 112.59 -177.939 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.805 -2.358 . . . . 0.0 111.956 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.51 80.33 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.183 -1.573 . . . . 0.0 116.149 179.771 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.04 34.49 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 175.021 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.74 55.34 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.595 2.434 . . . . 0.0 106.034 176.117 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.42 141.98 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.611 3.069 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.207 -1.797 . . . . 0.0 108.239 178.123 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.02 44.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.419 -179.184 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.24 44.5 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.172 4.045 . . . . 0.0 103.549 174.015 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.145 0 O-C-N 127.712 3.132 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.7 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.146 -2.297 . . . . 0.0 106.335 174.709 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.552 2.168 . . . . 0.0 111.961 177.725 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.903 -177.524 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.814 -179.032 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.41 21.21 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.708 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 O-C-N 127.198 2.811 . . . . 0.0 110.385 175.738 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.46 79.0 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.367 -0.833 . . . . 0.0 110.727 177.012 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.01 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.303 1.041 . . . . 0.0 111.564 -179.671 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.094 1.496 . . . . 0.0 109.34 178.493 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.99 83.9 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.766 -179.8 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 117.989 0.359 . . . . 0.0 111.231 176.883 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.362 -1.461 . . . . 0.0 110.801 176.017 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.52 77.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.47 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.522 2.582 . . . . 0.0 109.022 179.439 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.64 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.748 179.163 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.43 17.91 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -175.667 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.51 -6.4 8.13 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 123.147 2.703 . . . . 0.0 113.936 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.326 0 N-CA-C 118.899 2.319 . . . . 0.0 118.899 176.554 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.88 83.25 Favored Pre-proline 0 C--O 1.242 0.704 0 C-N-CA 118.83 -1.148 . . . . 0.0 111.013 179.693 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.6 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.128 2.552 . . . . 0.0 110.952 178.153 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.261 1.67 0 C-N-CA 120.707 0.938 . . . . 0.0 113.392 -179.349 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.61 63.65 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 120.002 -1.686 . . . . 0.0 112.179 -177.387 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.78 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.463 -1.398 . . . . 0.0 112.058 178.669 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.78 34.77 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.323 2.011 . . . . 0.0 115.625 -177.651 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.92 23.88 Favored 'General case' 0 C--O 1.296 3.523 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 172.103 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.29 51.03 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.479 1.036 . . . . 0.0 110.016 -177.566 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 125.159 1.537 . . . . 0.0 111.927 -177.503 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.69 18.99 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.504 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.94 19.45 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.757 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 128.43 2.919 . . . . 0.0 117.459 -179.506 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 177.673 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.576 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.003 -175.898 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.94 36.81 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.077 1.486 . . . . 0.0 109.952 -177.739 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.22 29.61 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.833 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.491 -1.434 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 -177.357 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.987 -1.89 . . . . 0.0 107.979 176.516 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.145 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.175 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.6 70.78 Favored 'General case' 0 C--O 1.268 2.073 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.182 -179.484 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.489 1.138 . . . . 0.0 110.736 179.729 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 117.65 -1.167 . . . . 0.0 112.953 179.325 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.42 18.51 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 121.555 1.979 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.173 175.819 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.521 -176.859 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.469 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.78 143.05 26.69 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.199 1.476 . . . . 0.0 109.301 -176.946 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.16 10.65 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 179.483 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.51 34.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.832 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.983 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.666 -2.587 . . . . 0.0 105.714 175.054 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.7 46.5 Favored 'General case' 0 C--N 1.285 -2.231 0 O-C-N 127.455 2.972 . . . . 0.0 105.902 177.916 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.772 0 CA-C-O 117.617 -1.182 . . . . 0.0 111.549 176.564 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.94 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.16 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.119 0.485 . . . . 0.0 109.875 178.435 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.476 -179.292 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.978 2.674 . . . . 0.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.393 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.645 1 O-C-N 130.475 4.859 . . . . 0.0 108.761 179.583 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.389 -3.195 . . . . 0.0 105.506 175.814 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.49 41.19 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.372 4.17 . . . . 0.0 108.059 -178.167 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.76 8.37 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.87 49.23 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.054 0.846 . . . . 0.0 112.555 -177.937 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.03 30.13 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.774 -2.371 . . . . 0.0 111.968 179.972 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.39 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.109 -1.619 . . . . 0.0 116.092 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.959 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.76 55.35 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.611 2.445 . . . . 0.0 105.99 176.179 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.98 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 127.64 3.088 . . . . 0.0 109.033 179.651 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.25 178.147 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.03 44.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.333 -2.27 . . . . 0.0 108.463 -179.19 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.43 Favored 'General case' 0 N--CA 1.499 1.986 1 O-C-N 129.182 4.051 . . . . 0.0 103.567 173.973 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.206 0 O-C-N 127.691 3.119 . . . . 0.0 111.214 -177.883 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.46 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.335 174.673 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.4 39.19 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.564 2.176 . . . . 0.0 111.957 177.727 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.16 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.88 -177.496 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.52 47.5 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.836 -179.032 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.4 21.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.726 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.217 2.823 . . . . 0.0 110.327 175.805 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.428 -0.795 . . . . 0.0 110.769 176.988 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.47 86.76 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.292 1.037 . . . . 0.0 111.543 -179.633 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.42 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.1 1.5 . . . . 0.0 109.375 178.459 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -38.0 83.88 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.646 0 CA-C-N 118.01 0.368 . . . . 0.0 111.211 176.856 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 120.339 -1.476 . . . . 0.0 110.838 176.016 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.47 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.887 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.36 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.5 2.571 . . . . 0.0 109.036 179.439 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.75 179.114 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.31 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.667 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.102 2.683 . . . . 0.0 113.96 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.33 90.13 Favored Glycine 0 CA--C 1.478 -2.242 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.542 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.85 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.162 2.575 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.19 92.62 Favored 'Trans proline' 0 C--O 1.261 1.675 0 C-N-CA 120.678 0.918 . . . . 0.0 113.397 -179.326 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 120.007 -1.683 . . . . 0.0 112.188 -177.435 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.44 29.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.494 -1.379 . . . . 0.0 112.035 178.706 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 124.332 2.015 . . . . 0.0 115.627 -177.646 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.512 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 172.079 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.31 50.99 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.454 1.024 . . . . 0.0 109.989 -177.57 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 O-C-N 125.144 1.528 . . . . 0.0 111.881 -177.509 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 177.538 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.95 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.313 -2.221 . . . . 0.0 110.752 177.369 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.54 61.05 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.413 2.911 . . . . 0.0 117.504 -179.5 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.702 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.79 130.3 34.59 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.571 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.693 -1.146 . . . . 0.0 110.026 -175.925 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 125.084 1.49 . . . . 0.0 109.931 -177.746 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.4 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 120.729 3.603 . . . . 0.0 120.729 -175.817 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.88 85.23 Favored Glycine 0 CA--C 1.492 -1.401 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.307 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.994 -1.886 . . . . 0.0 107.984 176.532 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.076 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.23 79.42 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.181 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.005 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.154 -179.494 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.26 70.51 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.457 1.123 . . . . 0.0 110.703 179.772 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.72 51.4 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.025 179.293 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.54 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.525 1.966 . . . . 0.0 111.179 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.114 -2.374 . . . . 0.0 106.198 175.833 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 126.082 2.113 . . . . 0.0 109.532 -176.809 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 143.08 26.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.183 1.468 . . . . 0.0 109.28 -176.96 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.19 10.66 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 179.473 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.843 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.69 52.1 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.008 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.715 175.047 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.42 Favored 'General case' 0 C--N 1.285 -2.205 0 O-C-N 127.471 2.982 . . . . 0.0 105.885 177.931 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.494 176.602 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.08 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 175.127 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.178 0.513 . . . . 0.0 109.815 178.456 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.515 179.506 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 126.943 2.652 . . . . 0.0 108.909 178.302 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.0 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.667 173.365 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.654 1 O-C-N 130.461 4.85 . . . . 0.0 108.746 179.565 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 175.797 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.23 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.399 4.187 . . . . 0.0 108.068 -178.184 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.74 8.4 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.98 49.75 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.063 0.852 . . . . 0.0 112.585 -177.962 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 115.794 -2.362 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.48 80.36 Favored Glycine 0 C--N 1.298 -1.571 0 O-C-N 120.135 -1.603 . . . . 0.0 116.126 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.05 34.43 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 174.979 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.584 2.427 . . . . 0.0 106.031 176.158 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.568 3.043 . . . . 0.0 109.04 179.649 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.224 -1.79 . . . . 0.0 108.234 178.116 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 153.98 44.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.465 -179.182 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.41 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.241 4.088 . . . . 0.0 103.55 174.025 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.672 3.108 . . . . 0.0 111.231 -177.876 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.65 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.345 174.688 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.48 39.58 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 C-N-CA 122.6 2.2 . . . . 0.0 111.949 177.703 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.07 59.09 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.889 -177.481 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.15 148.53 47.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 117.387 -1.725 . . . . 0.0 109.89 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.45 21.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.717 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 127.174 2.796 . . . . 0.0 110.428 175.708 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.05 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.419 -0.801 . . . . 0.0 110.741 176.98 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.15 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.306 1.043 . . . . 0.0 111.562 -179.627 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.42 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.094 1.496 . . . . 0.0 109.331 178.478 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.75 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.975 0.352 . . . . 0.0 111.226 176.871 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.378 -1.451 . . . . 0.0 110.799 176.033 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.46 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.922 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.62 79.21 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 125.543 2.592 . . . . 0.0 108.994 179.514 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.71 66.46 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.763 179.149 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.4 17.93 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.014 2.228 . . . . 0.0 117.014 -175.677 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.44 8.1 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.064 2.665 . . . . 0.0 113.974 179.834 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.35 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.921 2.328 . . . . 0.0 118.921 176.542 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.814 -1.154 . . . . 0.0 111.032 179.692 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.33 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.148 2.565 . . . . 0.0 110.942 178.179 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.15 92.6 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.862 0.927 . . . . 0.0 113.439 -179.362 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.974 -1.704 . . . . 0.0 112.213 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.511 -1.368 . . . . 0.0 112.02 178.743 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.288 1.994 . . . . 0.0 115.616 -177.632 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.9 23.88 Favored 'General case' 0 C--O 1.296 3.526 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.097 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.481 1.037 . . . . 0.0 109.966 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.138 1.524 . . . . 0.0 111.914 -177.496 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.66 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 177.513 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.02 19.55 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.793 177.412 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.93 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.343 2.877 . . . . 0.0 117.522 -179.51 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.705 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.2 34.62 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.46 138.37 37.56 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.011 -175.891 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.01 36.76 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.112 1.508 . . . . 0.0 109.951 -177.731 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.23 29.83 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.808 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.83 85.32 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 116.108 1.203 . . . . 0.0 116.108 -177.32 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.056 -1.849 . . . . 0.0 107.983 176.522 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.55 11.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.125 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.27 79.33 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.135 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.56 70.74 Favored 'General case' 0 C--O 1.267 2.008 0 C-N-CA 117.311 -1.755 . . . . 0.0 112.161 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.32 70.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.454 1.121 . . . . 0.0 110.733 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.636 -1.173 . . . . 0.0 112.927 179.321 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.4 18.35 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 121.607 2.003 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.41 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.142 175.825 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.075 2.109 . . . . 0.0 109.522 -176.876 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.67 143.06 26.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.273 1.511 . . . . 0.0 109.206 -176.867 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.84 19.23 10.69 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.748 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.13 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.974 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.701 174.999 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.57 135.78 46.35 Favored 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.411 2.945 . . . . 0.0 105.863 177.926 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.82 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.493 176.574 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.99 28.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 175.095 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.202 0.525 . . . . 0.0 109.836 178.47 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.3 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.635 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.73 37.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.635 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.495 173.33 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 127.006 2.691 . . . . 0.0 108.908 178.286 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.359 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.441 4.838 . . . . 0.0 108.82 179.541 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.17 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.489 175.874 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.49 41.17 Favored 'General case' 0 N--CA 1.504 2.259 1 O-C-N 129.403 4.189 . . . . 0.0 108.086 -178.191 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.76 8.37 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.95 49.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.064 0.853 . . . . 0.0 112.626 -177.982 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.859 -2.336 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.47 80.3 Favored Glycine 0 C--N 1.297 -1.599 0 O-C-N 120.163 -1.586 . . . . 0.0 116.109 179.75 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.03 34.46 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.94 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.605 2.441 . . . . 0.0 106.046 176.116 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 127.636 3.085 . . . . 0.0 109.014 179.708 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.236 178.098 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.447 -179.208 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.218 4.074 . . . . 0.0 103.572 174.003 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 O-C-N 127.701 3.125 . . . . 0.0 111.199 -177.854 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.202 -2.272 . . . . 0.0 106.289 174.728 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.531 2.154 . . . . 0.0 111.932 177.702 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.1 59.15 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.889 -177.455 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.51 47.53 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.332 -1.747 . . . . 0.0 109.887 -179.079 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.44 21.21 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 175.717 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.192 2.807 . . . . 0.0 110.37 175.746 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.382 -0.824 . . . . 0.0 110.749 176.984 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.87 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.286 1.035 . . . . 0.0 111.574 -179.668 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.037 1.46 . . . . 0.0 109.308 178.479 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.92 83.75 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.95 86.87 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.997 0.362 . . . . 0.0 111.187 176.883 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.23 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.412 -1.43 . . . . 0.0 110.773 176.029 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.53 77.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.951 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.58 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.481 2.562 . . . . 0.0 109.039 179.458 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.74 66.63 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.777 179.091 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.651 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -175.635 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 123.139 2.7 . . . . 0.0 113.965 179.811 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.501 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.81 83.4 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.802 -1.159 . . . . 0.0 111.033 179.675 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.183 2.589 . . . . 0.0 110.916 178.2 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.09 92.67 Favored 'Trans proline' 0 C--O 1.261 1.674 0 O-C-N 122.907 0.951 . . . . 0.0 113.438 -179.34 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 119.96 -1.713 . . . . 0.0 112.22 -177.485 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.45 28.86 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.553 -1.342 . . . . 0.0 112.04 178.715 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.293 1.996 . . . . 0.0 115.668 -177.667 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.97 23.98 Favored 'General case' 0 C--O 1.295 3.484 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.122 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 119.41 1.004 . . . . 0.0 109.991 -177.545 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.133 1.521 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.567 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.753 177.355 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.52 60.95 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 128.399 2.904 . . . . 0.0 117.526 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.7 46.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.698 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.26 1.605 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.587 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.016 -175.858 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.92 140.01 36.78 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.745 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.23 29.23 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.803 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.92 85.17 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.148 1.219 . . . . 0.0 116.148 -177.379 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.58 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.979 -1.895 . . . . 0.0 108.015 176.513 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.131 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.103 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.053 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.145 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.54 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.503 1.144 . . . . 0.0 110.76 179.73 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.67 51.46 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 112.967 179.309 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.55 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 121.521 1.964 . . . . 0.0 111.187 179.857 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.37 30.22 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-O 115.089 -2.386 . . . . 0.0 106.192 175.851 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.35 169.53 8.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.152 2.157 . . . . 0.0 109.528 -176.844 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 22.6 pttp -54.79 143.08 26.62 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.184 1.469 . . . . 0.0 109.285 -176.938 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.16 10.66 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.813 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.72 52.2 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.669 175.989 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.61 19.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.659 -2.591 . . . . 0.0 105.711 175.027 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.462 2.976 . . . . 0.0 105.904 177.924 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.507 176.573 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.132 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.164 0.507 . . . . 0.0 109.836 178.421 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.271 0 CA-C-O 113.356 -3.211 . . . . 0.0 105.492 179.436 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.993 2.683 . . . . 0.0 108.894 178.346 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 173.396 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.652 1 O-C-N 130.444 4.84 . . . . 0.0 108.777 179.569 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.51 175.824 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.396 4.185 . . . . 0.0 108.01 -178.156 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.72 8.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.64 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.026 0.829 . . . . 0.0 112.62 -177.954 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.814 -2.354 . . . . 0.0 111.989 179.952 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.53 80.36 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.09 -1.631 . . . . 0.0 116.122 179.761 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.02 34.49 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.997 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.612 2.445 . . . . 0.0 106.037 176.144 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.613 3.07 . . . . 0.0 109.036 179.671 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.79 36.63 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.217 -1.793 . . . . 0.0 108.241 178.136 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.31 -2.281 . . . . 0.0 108.481 -179.164 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.219 4.075 . . . . 0.0 103.573 173.999 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.153 0 O-C-N 127.736 3.147 . . . . 0.0 111.231 -177.929 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.49 37.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.314 174.707 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.5 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 122.52 2.147 . . . . 0.0 111.936 177.746 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.16 59.12 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.899 -177.523 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.6 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 117.389 -1.724 . . . . 0.0 109.852 -179.032 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.722 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.28 -37.27 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.226 2.829 . . . . 0.0 110.424 175.735 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.42 79.21 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.321 -0.862 . . . . 0.0 110.756 176.983 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.5 87.04 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.281 1.032 . . . . 0.0 111.52 -179.661 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.43 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.044 1.465 . . . . 0.0 109.309 178.511 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.98 83.72 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.13 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.028 0.376 . . . . 0.0 111.213 176.875 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.472 -1.392 . . . . 0.0 110.816 175.999 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.51 77.64 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.932 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.59 79.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.484 2.564 . . . . 0.0 108.992 179.489 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.76 66.37 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.711 -1.586 . . . . 0.0 111.772 179.102 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.46 17.93 Favored 'General case' 0 C--O 1.28 2.676 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.666 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.39 8.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 123.081 2.673 . . . . 0.0 113.939 179.801 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.31 90.14 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.518 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.41 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.029 179.683 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.99 80.01 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.164 2.576 . . . . 0.0 110.96 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.14 92.78 Favored 'Trans proline' 0 C--O 1.262 1.703 0 O-C-N 122.865 0.929 . . . . 0.0 113.439 -179.334 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.915 -1.741 . . . . 0.0 112.219 -177.43 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.474 -1.391 . . . . 0.0 112.039 178.671 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.344 2.021 . . . . 0.0 115.626 -177.676 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.96 23.96 Favored 'General case' 0 C--O 1.296 3.52 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.113 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.24 51.02 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.471 1.032 . . . . 0.0 109.931 -177.495 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 125.168 1.543 . . . . 0.0 111.892 -177.518 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 177.554 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.79 177.388 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.61 61.17 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 128.365 2.888 . . . . 0.0 117.488 -179.525 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.677 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.23 34.61 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 174.562 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.041 -175.868 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 125.029 1.456 . . . . 0.0 109.938 -177.691 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.27 29.57 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.819 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.85 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.119 1.207 . . . . 0.0 116.119 -177.353 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.53 17.08 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.053 -1.851 . . . . 0.0 107.993 176.48 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.15 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 117.344 -1.742 . . . . 0.0 112.176 -179.482 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.29 70.52 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.475 1.131 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.68 51.47 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.01 179.226 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.38 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 121.55 1.977 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.208 175.79 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.034 2.084 . . . . 0.0 109.528 -176.846 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.574 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 21.1 pttp -54.78 143.05 26.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.195 1.474 . . . . 0.0 109.268 -176.889 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.45 34.68 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.838 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.12 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.938 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.72 175.034 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.8 46.39 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 127.422 2.951 . . . . 0.0 105.888 177.927 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.516 176.609 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.155 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.496 . . . . 0.0 109.842 178.421 . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.14 34.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.254 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.502 -179.573 . . . . . . . . 0 0 . 1 . 068 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.922 2.639 . . . . 0.0 108.946 178.268 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.673 173.404 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.642 1 O-C-N 130.473 4.858 . . . . 0.0 108.82 179.586 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.496 175.834 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.25 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.39 4.181 . . . . 0.0 108.029 -178.166 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.832 -1.08 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.53 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.054 0.846 . . . . 0.0 112.607 -177.969 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.001 179.95 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.51 80.28 Favored Glycine 0 C--N 1.298 -1.545 0 O-C-N 120.08 -1.637 . . . . 0.0 116.169 179.756 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.984 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.623 2.452 . . . . 0.0 105.989 176.185 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.02 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.607 3.067 . . . . 0.0 109.059 179.647 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.8 36.62 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 117.275 -1.77 . . . . 0.0 108.196 178.128 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.0 44.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.475 -179.225 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.156 4.035 . . . . 0.0 103.565 174.037 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.64 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.747 3.155 . . . . 0.0 111.193 -177.888 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.61 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.099 -2.319 . . . . 0.0 106.345 174.664 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.29 Favored 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 122.584 2.19 . . . . 0.0 111.934 177.699 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.913 -177.522 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.48 47.57 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.319 -1.752 . . . . 0.0 109.88 -179.049 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.4 21.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.69 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.164 2.79 . . . . 0.0 110.358 175.8 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.46 79.12 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.343 -0.848 . . . . 0.0 110.756 177.008 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.12 Favored 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.274 1.03 . . . . 0.0 111.501 -179.653 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 125.1 1.5 . . . . 0.0 109.333 178.501 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.98 83.94 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.797 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.07 87.28 Favored 'General case' 0 C--O 1.279 2.62 0 CA-C-N 117.973 0.352 . . . . 0.0 111.243 176.884 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.01 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 120.416 -1.427 . . . . 0.0 110.756 176.006 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.43 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.211 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.61 79.24 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.552 2.596 . . . . 0.0 109.028 179.456 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.74 66.39 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.734 179.124 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.36 17.95 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.645 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.097 2.68 . . . . 0.0 113.96 179.802 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 118.892 2.317 . . . . 0.0 118.892 176.513 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.006 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.127 2.551 . . . . 0.0 110.921 178.194 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.63 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.886 0.94 . . . . 0.0 113.44 -179.35 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.922 -1.736 . . . . 0.0 112.226 -177.471 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.5 28.88 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.515 -1.366 . . . . 0.0 112.07 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.287 1.994 . . . . 0.0 115.664 -177.656 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.03 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 172.092 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.21 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.427 1.012 . . . . 0.0 110.016 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.165 1.54 . . . . 0.0 111.925 -177.46 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.03 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.496 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.04 19.22 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.778 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.66 60.96 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.311 2.863 . . . . 0.0 117.517 -179.511 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.35 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.701 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 174.513 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.45 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.019 -175.857 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.035 1.459 . . . . 0.0 109.977 -177.724 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.82 Favored 'General case' 0 C--O 1.266 1.935 0 N-CA-C 120.7 3.592 . . . . 0.0 120.7 -175.799 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.84 85.31 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.61 16.96 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.035 -1.862 . . . . 0.0 108.009 176.506 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.58 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.128 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.21 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.269 2.082 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.143 -179.481 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.26 70.66 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.498 1.142 . . . . 0.0 110.732 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.64 51.56 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.992 179.255 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.36 18.27 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.589 1.995 . . . . 0.0 111.211 179.882 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.164 175.815 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.037 2.086 . . . . 0.0 109.51 -176.81 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.522 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 20.2 ttpp -54.77 143.07 26.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 123.182 1.468 . . . . 0.0 109.283 -176.936 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 179.462 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.794 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.15 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.0 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.63 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.72 -2.562 . . . . 0.0 105.707 175.006 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.83 46.27 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.44 2.962 . . . . 0.0 105.909 177.92 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.541 176.574 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.128 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.209 0.528 . . . . 0.0 109.827 178.455 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.98 40.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.461 179.525 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 126.979 2.674 . . . . 0.0 108.906 178.32 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.04 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.28 0 N-CA-C 105.628 -1.989 . . . . 0.0 105.628 173.384 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.19 49.47 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.467 4.854 . . . . 0.0 108.786 179.57 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.17 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.492 175.858 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.22 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.424 4.203 . . . . 0.0 108.055 -178.165 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.95 49.6 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 124.097 0.873 . . . . 0.0 112.588 -177.926 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.825 -2.35 . . . . 0.0 111.981 179.962 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.5 80.3 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.089 -1.632 . . . . 0.0 116.14 179.755 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.983 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.585 2.428 . . . . 0.0 106.048 176.187 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.05 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.567 3.042 . . . . 0.0 109.085 179.692 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.81 36.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.269 178.139 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.01 44.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.428 -179.159 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.24 44.51 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.225 4.078 . . . . 0.0 103.578 173.972 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.719 3.137 . . . . 0.0 111.182 -177.87 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.355 174.663 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.38 39.2 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 C-N-CA 122.564 2.176 . . . . 0.0 111.921 177.699 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.96 -8.14 59.17 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.852 -177.44 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.47 47.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.89 -179.065 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.4 21.29 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.684 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 O-C-N 127.136 2.772 . . . . 0.0 110.373 175.751 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.4 79.29 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.378 -0.826 . . . . 0.0 110.727 176.96 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.51 86.64 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 124.367 1.067 . . . . 0.0 111.509 -179.652 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.42 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.119 1.512 . . . . 0.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.93 83.59 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.733 -179.739 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.02 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.984 0.356 . . . . 0.0 111.243 176.888 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.395 -1.441 . . . . 0.0 110.819 175.984 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.913 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.64 79.17 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 125.503 2.573 . . . . 0.0 108.994 179.511 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.69 66.48 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.776 179.103 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -175.65 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 123.133 2.697 . . . . 0.0 113.949 179.828 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.35 90.13 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.879 2.312 . . . . 0.0 118.879 176.51 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.83 83.31 Favored Pre-proline 0 C--O 1.243 0.726 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.988 179.726 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.94 79.5 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.187 2.592 . . . . 0.0 110.902 178.189 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.19 92.86 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 122.841 0.916 . . . . 0.0 113.465 -179.376 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 119.93 -1.731 . . . . 0.0 112.213 -177.465 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.43 28.9 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.527 -1.358 . . . . 0.0 112.08 178.686 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 124.286 1.993 . . . . 0.0 115.636 -177.64 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.91 23.89 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.3 50.99 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.464 1.029 . . . . 0.0 109.994 -177.572 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.181 1.55 . . . . 0.0 111.871 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.69 18.99 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 177.457 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.29 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.768 177.38 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.62 61.01 Favored Glycine 0 N--CA 1.433 -1.528 0 C-N-CA 128.339 2.876 . . . . 0.0 117.52 -179.448 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.71 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.3 34.59 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.608 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.078 -175.956 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.74 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.031 1.457 . . . . 0.0 109.945 -177.691 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.3 29.13 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.725 3.602 . . . . 0.0 120.725 -175.823 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.81 -8.89 85.28 Favored Glycine 0 CA--C 1.491 -1.412 0 N-CA-C 116.099 1.199 . . . . 0.0 116.099 -177.315 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.55 17.02 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 120.007 -1.878 . . . . 0.0 107.991 176.547 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.083 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.27 79.36 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.174 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.316 -1.753 . . . . 0.0 112.164 -179.486 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.67 -39.24 70.66 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.478 1.132 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.004 179.269 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.37 18.48 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 121.566 1.984 . . . . 0.0 111.208 179.901 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.39 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.045 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.182 175.827 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.122 2.139 . . . . 0.0 109.489 -176.821 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.8 143.06 26.74 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 123.215 1.483 . . . . 0.0 109.287 -176.917 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.494 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.788 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.67 52.11 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.969 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.677 -2.582 . . . . 0.0 105.715 175.027 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.75 46.42 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.445 2.966 . . . . 0.0 105.88 177.909 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.87 30.94 Favored 'General case' 0 C--O 1.281 2.761 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.494 176.586 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.88 28.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.142 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.213 0.53 . . . . 0.0 109.824 178.466 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.04 39.58 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.291 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.527 -177.126 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 126.972 2.67 . . . . 0.0 108.952 178.32 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.413 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.461 4.851 . . . . 0.0 108.77 179.593 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.51 41.29 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.405 4.19 . . . . 0.0 108.045 -178.177 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.92 49.39 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.001 0.813 . . . . 0.0 112.606 -177.945 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.96 30.34 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.787 -2.365 . . . . 0.0 111.958 179.981 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.5 80.36 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.123 -1.611 . . . . 0.0 116.101 179.725 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.03 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 174.994 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.78 55.37 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.613 2.445 . . . . 0.0 106.032 176.134 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.603 3.064 . . . . 0.0 109.014 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.221 178.091 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.14 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.391 -179.18 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.0 1 O-C-N 129.211 4.07 . . . . 0.0 103.596 173.978 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 O-C-N 127.717 3.136 . . . . 0.0 111.222 -177.912 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.297 174.702 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.51 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 122.562 2.175 . . . . 0.0 111.947 177.699 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.09 59.09 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.867 -177.509 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.45 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.43 21.28 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.708 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.32 -37.25 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.167 2.792 . . . . 0.0 110.354 175.765 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.348 -0.845 . . . . 0.0 110.722 176.98 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.367 1.067 . . . . 0.0 111.518 -179.636 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.043 1.465 . . . . 0.0 109.279 178.534 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.94 83.7 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.761 -179.773 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.08 87.19 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 118.014 0.37 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.401 0 O-C-N 120.375 -1.453 . . . . 0.0 110.792 175.988 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.47 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.62 79.26 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.548 2.594 . . . . 0.0 109.006 179.493 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.71 66.52 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.73 179.201 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.43 17.94 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.676 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.151 2.705 . . . . 0.0 113.911 179.858 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.856 2.302 . . . . 0.0 118.856 176.535 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.89 83.21 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.007 179.718 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.87 79.23 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.116 2.544 . . . . 0.0 110.937 178.208 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.25 92.8 Favored 'Trans proline' 0 C--O 1.261 1.667 0 O-C-N 122.868 0.931 . . . . 0.0 113.452 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.93 -1.731 . . . . 0.0 112.182 -177.43 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.49 28.9 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.518 -1.364 . . . . 0.0 112.022 178.714 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.341 2.02 . . . . 0.0 115.627 -177.662 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.93 23.95 Favored 'General case' 0 C--O 1.295 3.472 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.135 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.451 1.023 . . . . 0.0 109.991 -177.605 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.139 1.524 . . . . 0.0 111.888 -177.491 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.69 18.95 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.496 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.0 19.5 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.185 -2.279 . . . . 0.0 110.764 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.371 2.891 . . . . 0.0 117.513 -179.464 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.652 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.57 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.555 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.032 -175.904 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.11 1.506 . . . . 0.0 109.957 -177.708 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.59 Favored 'General case' 0 C--O 1.265 1.909 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.841 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.96 85.14 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 116.133 1.213 . . . . 0.0 116.133 -177.367 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.52 17.11 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 119.994 -1.886 . . . . 0.0 107.944 176.504 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.65 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 177.128 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.18 79.26 Favored 'General case' 0 C--O 1.202 -1.433 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.182 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.67 70.82 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.157 -179.489 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.31 70.46 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.43 1.109 . . . . 0.0 110.71 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.67 51.48 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 117.637 -1.173 . . . . 0.0 112.978 179.282 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.33 18.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.574 1.988 . . . . 0.0 111.223 179.867 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.39 30.25 Favored 'Isoleucine or valine' 0 C--O 1.268 2.07 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.136 175.88 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.063 2.102 . . . . 0.0 109.552 -176.901 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 9.0 ptmm? -54.69 143.05 26.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.244 1.497 . . . . 0.0 109.279 -176.913 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.469 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.53 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.766 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.919 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.76 -2.543 . . . . 0.0 105.694 174.988 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.397 2.936 . . . . 0.0 105.913 177.909 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.99 115.74 30.72 Favored 'General case' 0 C--O 1.283 2.834 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.555 176.568 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 175.142 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.214 0.531 . . . . 0.0 109.806 178.422 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.02 35.74 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -107.31 122.09 45.86 Favored 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.488 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 125.793 1.933 . . . . 0.0 109.83 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 53.94 179.7 0.03 OUTLIER 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.802 -1.544 . . . . 0.0 108.814 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.61 -175.27 45.11 Favored Glycine 0 C--O 1.243 0.676 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.014 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.415 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.414 179.202 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.995 2.684 . . . . 0.0 108.923 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.681 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.42 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.523 4.889 . . . . 0.0 108.807 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.466 -3.159 . . . . 0.0 105.484 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.24 Favored 'General case' 0 N--CA 1.504 2.247 1 O-C-N 129.335 4.147 . . . . 0.0 108.085 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.775 -1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.106 0.879 . . . . 0.0 112.57 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.048 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.46 80.36 Favored Glycine 0 C--N 1.298 -1.532 0 O-C-N 120.068 -1.645 . . . . 0.0 116.115 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.634 2.459 . . . . 0.0 106.052 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.648 3.092 . . . . 0.0 109.033 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.7 36.77 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.219 -1.792 . . . . 0.0 108.208 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.03 44.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.427 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.235 4.084 . . . . 0.0 103.558 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.688 3.118 . . . . 0.0 111.237 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.4 38.93 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 122.549 2.166 . . . . 0.0 111.973 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.18 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.934 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.354 -1.738 . . . . 0.0 109.911 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.45 21.2 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.33 -37.21 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.218 2.824 . . . . 0.0 110.344 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.4 79.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.54 86.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 124.325 1.05 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.25 -46.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.077 1.486 . . . . 0.0 109.305 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.98 83.85 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.763 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.03 87.17 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 117.985 0.357 . . . . 0.0 111.214 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 120.388 -1.445 . . . . 0.0 110.785 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.63 79.11 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.495 2.569 . . . . 0.0 109.016 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.71 66.36 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.661 -1.609 . . . . 0.0 111.772 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.49 17.93 Favored 'General case' 0 C--O 1.279 2.631 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 123.108 2.685 . . . . 0.0 113.978 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.288 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.38 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.853 -1.139 . . . . 0.0 111.007 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.73 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.14 2.56 . . . . 0.0 110.939 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.66 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.858 0.925 . . . . 0.0 113.407 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.51 28.87 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.453 -1.404 . . . . 0.0 112.079 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 124.292 1.996 . . . . 0.0 115.606 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.99 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.422 1.01 . . . . 0.0 109.936 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.098 1.499 . . . . 0.0 111.906 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.67 18.9 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.766 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.57 60.92 Favored Glycine 0 N--CA 1.433 -1.556 0 C-N-CA 128.386 2.898 . . . . 0.0 117.514 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.37 37.43 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.688 -1.149 . . . . 0.0 110.048 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.04 36.68 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.117 1.51 . . . . 0.0 109.953 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.14 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.94 85.15 Favored Glycine 0 CA--C 1.493 -1.337 0 N-CA-C 116.093 1.197 . . . . 0.0 116.093 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.51 17.12 Favored 'General case' 0 C--O 1.251 1.136 0 O-C-N 120.051 -1.853 . . . . 0.0 108.001 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.25 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.362 -1.735 . . . . 0.0 112.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.3 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.469 1.128 . . . . 0.0 110.721 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.77 51.27 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.27 18.6 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.538 1.972 . . . . 0.0 111.208 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.38 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.057 0 CA-C-O 115.154 -2.355 . . . . 0.0 106.209 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.044 2.09 . . . . 0.0 109.521 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' B' ' 63' ' ' LYS . 13.4 ptmm? -54.72 143.04 26.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.18 1.467 . . . . 0.0 109.245 -176.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.15 10.64 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.28 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.64 19.12 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.46 Favored 'General case' 0 C--N 1.285 -2.203 0 O-C-N 127.456 2.973 . . . . 0.0 105.882 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.854 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.53 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.212 0.53 . . . . 0.0 109.807 178.463 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.54 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.11 36.94 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -121.15 118.3 29.33 Favored 'General case' 0 C--O 1.271 2.214 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.505 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -63.99 -39.14 93.44 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 125.798 1.936 . . . . 0.0 109.802 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 89.65 -0.69 0.3 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.85 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.98 -130.7 40.58 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 114.618 -1.174 . . . . 0.0 115.102 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 CA-C-O 116.35 -2.361 . . . . 0.0 108.38 179.304 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.941 2.651 . . . . 0.0 108.883 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.47 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 130.445 4.84 . . . . 0.0 108.74 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.472 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.242 1 O-C-N 129.366 4.166 . . . . 0.0 108.098 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.96 49.67 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.006 0.816 . . . . 0.0 112.608 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.18 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.819 -2.352 . . . . 0.0 111.993 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.5 80.29 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.098 -1.626 . . . . 0.0 116.133 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.1 34.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.602 2.439 . . . . 0.0 106.026 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.02 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 127.555 3.035 . . . . 0.0 109.072 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.53 139.76 36.75 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.2 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.364 -2.255 . . . . 0.0 108.472 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.19 4.056 . . . . 0.0 103.533 174.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 O-C-N 127.713 3.133 . . . . 0.0 111.177 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.45 37.58 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.281 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.47 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 122.509 2.14 . . . . 0.0 111.986 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.889 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.312 -1.755 . . . . 0.0 109.863 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 127.218 2.824 . . . . 0.0 110.397 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.342 -0.849 . . . . 0.0 110.694 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.43 86.96 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.34 1.056 . . . . 0.0 111.486 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.41 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.054 1.471 . . . . 0.0 109.326 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.93 83.72 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.785 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.34 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 117.979 0.354 . . . . 0.0 111.212 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.387 0 O-C-N 120.413 -1.429 . . . . 0.0 110.791 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.43 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 125.518 2.58 . . . . 0.0 109.022 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.67 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.711 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.94 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.3 8.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.071 2.669 . . . . 0.0 113.972 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.35 90.16 Favored Glycine 0 CA--C 1.478 -2.243 0 N-CA-C 118.904 2.321 . . . . 0.0 118.904 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.81 83.44 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.754 -1.178 . . . . 0.0 110.981 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.156 2.571 . . . . 0.0 110.908 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.12 92.63 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.88 0.937 . . . . 0.0 113.443 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 119.975 -1.703 . . . . 0.0 112.198 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.42 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.513 -1.367 . . . . 0.0 112.01 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.282 1.991 . . . . 0.0 115.573 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.18 115.93 23.98 Favored 'General case' 0 C--O 1.296 3.54 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.27 50.95 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 119.456 1.025 . . . . 0.0 109.951 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 125.174 1.546 . . . . 0.0 111.955 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.02 19.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.267 -2.242 . . . . 0.0 110.758 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.87 21.47 61.11 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 128.378 2.894 . . . . 0.0 117.466 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.28 34.61 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.44 37.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.038 -175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 125.079 1.487 . . . . 0.0 109.956 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.26 29.21 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 120.689 3.588 . . . . 0.0 120.689 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.92 85.2 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.096 1.198 . . . . 0.0 116.096 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.006 -1.879 . . . . 0.0 108.009 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.185 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.29 70.73 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.458 1.123 . . . . 0.0 110.698 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.39 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.655 -1.164 . . . . 0.0 112.986 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.39 18.47 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 121.575 1.988 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.4 30.3 Favored 'Isoleucine or valine' 0 C--O 1.267 2.013 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.166 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.34 169.57 8.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.161 2.163 . . . . 0.0 109.509 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 18.9 tttm -54.8 143.03 26.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.23 1.491 . . . . 0.0 109.251 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.66 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.722 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.445 2.966 . . . . 0.0 105.876 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.521 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.93 28.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 178.474 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.53 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.49 36.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -85.96 147.99 25.97 Favored 'General case' 0 C--O 1.271 2.227 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.51 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -71.03 145.54 49.88 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 125.815 1.947 . . . . 0.0 109.819 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -66.67 128.53 36.61 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 113.825 -1.534 . . . . 0.0 108.87 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.06 39.11 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 114.679 -1.146 . . . . 0.0 115.069 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 CA-C-O 116.389 -2.34 . . . . 0.0 108.388 179.382 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.978 2.674 . . . . 0.0 108.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.16 49.53 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.479 4.862 . . . . 0.0 108.791 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.473 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 129.406 4.191 . . . . 0.0 108.04 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.88 49.25 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.088 0.868 . . . . 0.0 112.603 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 14.99 30.28 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.031 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.45 80.33 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.145 -1.597 . . . . 0.0 116.123 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.07 34.39 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.8 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.689 2.493 . . . . 0.0 106.021 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 127.598 3.061 . . . . 0.0 109.069 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.7 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.262 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.0 44.22 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.481 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.002 1 O-C-N 129.167 4.042 . . . . 0.0 103.561 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.727 3.142 . . . . 0.0 111.209 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 112.122 -2.308 . . . . 0.0 106.294 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.22 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.604 2.203 . . . . 0.0 111.911 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.926 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.87 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.39 21.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.24 77.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 O-C-N 127.163 2.789 . . . . 0.0 110.399 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.42 79.27 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.325 -0.859 . . . . 0.0 110.701 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 124.293 1.037 . . . . 0.0 111.578 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.058 1.473 . . . . 0.0 109.335 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.97 83.87 Favored 'General case' 0 C--O 1.256 1.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.781 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.4 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.016 0.371 . . . . 0.0 111.231 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.324 -1.485 . . . . 0.0 110.798 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.37 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 125.467 2.556 . . . . 0.0 109.004 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.53 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.757 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.42 17.97 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.38 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.115 2.689 . . . . 0.0 113.977 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.907 2.323 . . . . 0.0 118.907 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.027 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.114 2.543 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.261 1.663 0 O-C-N 122.885 0.94 . . . . 0.0 113.44 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.56 63.64 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 120.015 -1.678 . . . . 0.0 112.224 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.45 28.8 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.482 -1.386 . . . . 0.0 112.037 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 124.294 1.997 . . . . 0.0 115.607 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.544 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 O-C-N 125.199 1.562 . . . . 0.0 111.854 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.806 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.01 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.365 2.888 . . . . 0.0 117.506 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.31 34.59 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.057 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.07 36.63 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 125.077 1.486 . . . . 0.0 109.951 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.2 30.05 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.697 3.591 . . . . 0.0 120.697 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.29 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.109 1.204 . . . . 0.0 116.109 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.58 16.98 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 120.017 -1.873 . . . . 0.0 107.983 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.23 79.31 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.039 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.174 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.34 70.45 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.455 1.122 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.44 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.029 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.38 18.56 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.52 1.964 . . . . 0.0 111.224 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.42 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.125 -2.369 . . . . 0.0 106.172 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.55 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.067 2.104 . . . . 0.0 109.507 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -54.76 143.03 26.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.222 1.486 . . . . 0.0 109.244 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.19 159.45 34.63 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.11 126.66 52.15 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.759 -2.543 . . . . 0.0 105.7 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.402 2.939 . . . . 0.0 105.924 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.819 0 CA-C-O 117.577 -1.202 . . . . 0.0 111.498 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.101 0.477 . . . . 0.0 109.845 178.454 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.452 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.584 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 84.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.466 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.91 37.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . -98.23 135.97 39.1 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.531 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -74.19 174.13 9.17 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 125.863 1.977 . . . . 0.0 109.785 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.93 160.63 42.6 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.842 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.38 177.27 30.24 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.07 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.438 0 CA-C-O 116.403 -2.332 . . . . 0.0 108.337 179.297 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 126.959 2.662 . . . . 0.0 108.893 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.95 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.433 4.833 . . . . 0.0 108.758 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.503 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.236 1 O-C-N 129.41 4.194 . . . . 0.0 108.062 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.94 49.56 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.086 0.866 . . . . 0.0 112.602 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.27 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.45 80.31 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.142 -1.599 . . . . 0.0 116.188 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.631 2.457 . . . . 0.0 106.044 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.01 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.613 3.07 . . . . 0.0 109.032 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.76 36.67 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.265 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.385 -2.245 . . . . 0.0 108.428 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.42 Favored 'General case' 0 N--CA 1.5 2.041 1 O-C-N 129.243 4.09 . . . . 0.0 103.56 174.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.723 3.139 . . . . 0.0 111.24 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.5 37.76 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.144 -2.298 . . . . 0.0 106.294 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.51 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.589 2.193 . . . . 0.0 111.918 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.948 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.868 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.149 2.781 . . . . 0.0 110.368 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.349 -0.844 . . . . 0.0 110.727 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.93 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.315 1.046 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.019 1.449 . . . . 0.0 109.324 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.08 87.39 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 117.957 0.344 . . . . 0.0 111.227 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.3 86.98 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.405 -1.435 . . . . 0.0 110.81 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.45 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.59 79.36 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.461 2.553 . . . . 0.0 108.984 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.54 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.747 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.43 17.97 Favored 'General case' 0 C--O 1.279 2.654 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.091 2.678 . . . . 0.0 113.969 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.45 90.08 Favored Glycine 0 CA--C 1.478 -2.25 0 N-CA-C 118.917 2.327 . . . . 0.0 118.917 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.85 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.797 -1.161 . . . . 0.0 111.017 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.48 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.142 2.561 . . . . 0.0 110.916 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.262 1.682 0 O-C-N 122.892 0.943 . . . . 0.0 113.393 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.14 -15.59 63.65 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.986 -1.696 . . . . 0.0 112.221 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.522 -1.361 . . . . 0.0 112.045 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 124.332 2.015 . . . . 0.0 115.616 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.02 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.502 1.046 . . . . 0.0 110.01 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.89 72.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.205 1.566 . . . . 0.0 111.904 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.32 129.67 18.84 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.74 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.61 60.99 Favored Glycine 0 N--CA 1.432 -1.603 0 C-N-CA 128.365 2.888 . . . . 0.0 117.505 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.4 37.46 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.991 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.74 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 125.096 1.497 . . . . 0.0 109.935 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.66 Favored 'General case' 0 C--O 1.266 1.923 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.84 85.29 Favored Glycine 0 CA--C 1.491 -1.439 0 N-CA-C 116.119 1.208 . . . . 0.0 116.119 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.62 16.99 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 119.978 -1.896 . . . . 0.0 108.01 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.56 11.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.19 79.24 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.167 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.26 70.48 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.497 1.142 . . . . 0.0 110.736 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.65 51.59 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.965 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.37 18.31 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.582 1.992 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.048 0 CA-C-O 115.134 -2.365 . . . . 0.0 106.167 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.07 2.106 . . . . 0.0 109.533 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 123.223 1.487 . . . . 0.0 109.235 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 117.896 2.554 . . . . 0.0 117.896 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.56 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.14 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.65 19.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.752 -2.546 . . . . 0.0 105.667 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.388 2.93 . . . . 0.0 105.903 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.83 30.87 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.482 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.196 0.522 . . . . 0.0 109.86 178.452 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.584 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.466 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.561 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.78 37.38 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -92.15 -49.25 6.29 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.506 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 59.03 110.87 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 O-C-N 125.813 1.945 . . . . 0.0 109.808 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.76 -43.24 99.25 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.862 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.48 -1.19 78.16 Favored Glycine 0 C--O 1.244 0.729 0 CA-C-N 114.654 -1.157 . . . . 0.0 115.083 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.376 -2.347 . . . . 0.0 108.394 179.304 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.944 2.652 . . . . 0.0 108.952 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.662 1 O-C-N 130.455 4.847 . . . . 0.0 108.774 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.499 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.53 41.27 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.388 4.18 . . . . 0.0 108.067 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.4 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.98 49.75 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.048 0.843 . . . . 0.0 112.602 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.5 80.35 Favored Glycine 0 C--N 1.298 -1.554 0 O-C-N 120.162 -1.586 . . . . 0.0 116.145 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.78 55.33 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.56 2.412 . . . . 0.0 106.018 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.615 3.072 . . . . 0.0 109.039 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.77 36.71 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.281 -1.767 . . . . 0.0 108.224 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.449 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.45 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.229 4.08 . . . . 0.0 103.565 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 O-C-N 127.638 3.086 . . . . 0.0 111.252 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.8 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.188 -2.278 . . . . 0.0 106.351 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.43 39.49 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.573 2.182 . . . . 0.0 111.933 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.889 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.905 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.28 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.176 2.798 . . . . 0.0 110.409 175.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.42 79.13 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.374 -0.829 . . . . 0.0 110.764 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 124.316 1.046 . . . . 0.0 111.495 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.02 1.45 . . . . 0.0 109.297 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -38.01 83.85 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.756 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.004 0.366 . . . . 0.0 111.209 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.0 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.404 -1.435 . . . . 0.0 110.815 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.2 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 125.522 2.582 . . . . 0.0 109.037 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.716 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.151 2.705 . . . . 0.0 113.957 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.3 90.17 Favored Glycine 0 CA--C 1.478 -2.258 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.022 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.9 79.42 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.126 2.551 . . . . 0.0 110.925 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.653 0 O-C-N 122.884 0.939 . . . . 0.0 113.423 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.727 0 O-C-N 120.0 -1.688 . . . . 0.0 112.199 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.44 28.87 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.523 -1.361 . . . . 0.0 112.021 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.266 1.984 . . . . 0.0 115.67 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.26 50.95 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.481 1.037 . . . . 0.0 109.995 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.148 1.53 . . . . 0.0 111.904 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.94 19.73 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.715 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.374 2.893 . . . . 0.0 117.551 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.34 37.49 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.033 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.04 36.67 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.015 1.447 . . . . 0.0 109.972 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.2 29.94 Favored 'General case' 0 C--O 1.265 1.881 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.28 Favored Glycine 0 CA--C 1.492 -1.389 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.58 17.01 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.002 -1.881 . . . . 0.0 108.002 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.25 79.39 Favored 'General case' 0 C--O 1.202 -1.409 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.76 Favored 'General case' 0 C--O 1.269 2.087 0 C-N-CA 117.343 -1.743 . . . . 0.0 112.152 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.26 70.61 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.493 1.139 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.66 51.56 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.953 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.41 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 121.595 1.998 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.138 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.08 2.113 . . . . 0.0 109.527 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.71 143.03 26.42 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.218 1.485 . . . . 0.0 109.257 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.68 52.16 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.7 19.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 114.717 -2.563 . . . . 0.0 105.72 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.72 46.55 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.41 2.944 . . . . 0.0 105.873 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.523 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.181 0.515 . . . . 0.0 109.769 178.464 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.561 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.515 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.87 38.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -80.82 154.94 26.87 Favored 'General case' 0 C--O 1.272 2.252 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.476 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -73.4 157.62 36.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 125.772 1.92 . . . . 0.0 109.816 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.88 -40.13 94.33 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.856 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.34 -159.28 53.83 Favored Glycine 0 C--O 1.244 0.741 0 CA-C-N 114.679 -1.146 . . . . 0.0 115.103 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.425 0 CA-C-O 116.382 -2.343 . . . . 0.0 108.379 179.158 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 126.98 2.675 . . . . 0.0 108.894 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.436 4.835 . . . . 0.0 108.761 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.17 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.485 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.54 41.23 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.338 4.149 . . . . 0.0 108.04 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.73 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.081 0.863 . . . . 0.0 112.596 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.823 -2.351 . . . . 0.0 112.013 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.58 80.25 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.119 -1.613 . . . . 0.0 116.13 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.06 34.52 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.77 55.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 126.615 2.447 . . . . 0.0 106.045 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.55 141.95 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.587 3.055 . . . . 0.0 109.03 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.39 139.81 36.54 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.284 -1.766 . . . . 0.0 108.198 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.02 44.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.467 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.19 44.38 Favored 'General case' 0 N--CA 1.499 1.977 1 O-C-N 129.236 4.085 . . . . 0.0 103.595 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.67 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.74 3.15 . . . . 0.0 111.205 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.54 37.82 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.31 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.29 Favored 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 122.582 2.188 . . . . 0.0 111.953 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.872 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.885 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.38 21.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.172 2.795 . . . . 0.0 110.355 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.4 79.04 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.335 -0.853 . . . . 0.0 110.68 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.8 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.304 1.042 . . . . 0.0 111.54 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.4 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.059 1.474 . . . . 0.0 109.324 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.97 83.78 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.06 87.16 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.024 0.374 . . . . 0.0 111.217 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.26 86.85 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.367 -1.458 . . . . 0.0 110.757 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.45 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.549 2.595 . . . . 0.0 109.022 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.42 17.95 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.12 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 123.097 2.68 . . . . 0.0 113.963 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.839 2.295 . . . . 0.0 118.839 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.85 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.158 2.572 . . . . 0.0 110.93 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.2 92.78 Favored 'Trans proline' 0 C--O 1.262 1.692 0 C-N-CA 120.709 0.939 . . . . 0.0 113.429 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.16 -15.6 63.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 119.963 -1.711 . . . . 0.0 112.185 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.47 28.91 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.551 -1.343 . . . . 0.0 112.042 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.276 1.989 . . . . 0.0 115.642 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.97 24.04 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 119.476 1.034 . . . . 0.0 109.975 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.21 1.569 . . . . 0.0 111.862 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.02 19.39 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.23 -2.259 . . . . 0.0 110.753 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 128.355 2.883 . . . . 0.0 117.504 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.44 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.056 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.03 36.69 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.014 1.446 . . . . 0.0 109.961 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.86 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.11 0 O-C-N 120.002 -1.881 . . . . 0.0 108.026 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.24 79.32 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.61 70.79 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.312 -1.755 . . . . 0.0 112.172 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.29 70.69 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.451 1.12 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 117.623 -1.18 . . . . 0.0 112.939 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.33 18.46 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 121.584 1.993 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.071 2.107 . . . . 0.0 109.487 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 20.0 pttt -54.75 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.21 1.481 . . . . 0.0 109.266 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.19 10.65 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.57 34.43 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.71 52.16 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.699 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.463 2.977 . . . . 0.0 105.875 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.81 30.83 Favored 'General case' 0 C--O 1.282 2.8 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.51 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.197 0.522 . . . . 0.0 109.805 178.489 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.515 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.748 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.8 37.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -89.95 -133.0 0.1 Allowed 'General case' 0 C--O 1.273 2.307 0 CA-C-O 113.354 -3.212 . . . . 0.0 105.497 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 75' ' ' GLY . . . -164.11 139.68 6.14 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 125.79 1.931 . . . . 0.0 109.857 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -71.34 93.94 1.17 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.876 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 73' ' ' LEU . . . -62.47 -40.56 99.25 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 114.608 -1.178 . . . . 0.0 115.077 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.364 -2.353 . . . . 0.0 108.405 179.133 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.961 2.663 . . . . 0.0 108.941 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.08 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.441 4.838 . . . . 0.0 108.758 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.503 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.47 41.2 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.369 4.168 . . . . 0.0 108.078 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.97 49.72 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.034 0.834 . . . . 0.0 112.603 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.03 30.15 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.005 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.44 80.38 Favored Glycine 0 C--N 1.298 -1.58 0 O-C-N 120.17 -1.581 . . . . 0.0 116.171 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.03 34.47 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 126.576 2.422 . . . . 0.0 106.022 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.99 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 127.574 3.046 . . . . 0.0 109.008 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.79 36.59 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.26 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.49 154.02 44.33 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.395 -2.241 . . . . 0.0 108.454 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.36 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.16 4.037 . . . . 0.0 103.57 174.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 O-C-N 127.676 3.11 . . . . 0.0 111.224 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.7 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.342 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.41 39.09 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.556 2.171 . . . . 0.0 111.974 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.21 59.16 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.882 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 117.369 -1.732 . . . . 0.0 109.854 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 O-C-N 127.19 2.806 . . . . 0.0 110.374 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.55 -40.53 79.09 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.341 -0.849 . . . . 0.0 110.73 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.4 -44.51 87.22 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 111.491 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.46 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.033 1.458 . . . . 0.0 109.281 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.04 83.85 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.03 87.26 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.001 0.364 . . . . 0.0 111.255 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.427 -1.421 . . . . 0.0 110.799 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.54 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.484 2.564 . . . . 0.0 108.978 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.782 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.41 17.92 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.093 2.679 . . . . 0.0 113.934 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.479 -2.215 0 N-CA-C 118.825 2.29 . . . . 0.0 118.825 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.86 83.37 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.776 -1.17 . . . . 0.0 111.043 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.12 2.546 . . . . 0.0 110.975 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.25 -32.12 92.73 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.702 0.935 . . . . 0.0 113.448 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.977 -1.702 . . . . 0.0 112.166 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.48 28.87 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.514 -1.366 . . . . 0.0 112.055 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.64 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.294 1.997 . . . . 0.0 115.625 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.99 24.09 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.65 130.25 51.08 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.492 1.042 . . . . 0.0 109.991 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.165 1.54 . . . . 0.0 111.916 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.65 18.86 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.52 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 112.237 -2.256 . . . . 0.0 110.777 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.88 21.46 61.1 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.351 2.881 . . . . 0.0 117.541 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.63 46.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.52 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.025 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.71 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 125.108 1.505 . . . . 0.0 109.981 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.18 29.81 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.28 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.088 1.195 . . . . 0.0 116.088 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.59 16.99 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.993 -1.886 . . . . 0.0 107.976 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.62 164.57 11.67 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.22 79.23 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.57 70.73 Favored 'General case' 0 C--O 1.269 2.083 0 C-N-CA 117.263 -1.775 . . . . 0.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 122.51 1.147 . . . . 0.0 110.747 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.0 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.36 18.48 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 121.543 1.974 . . . . 0.0 111.175 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.107 -2.378 . . . . 0.0 106.185 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.091 2.12 . . . . 0.0 109.499 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -54.75 143.02 26.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.211 1.482 . . . . 0.0 109.25 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.11 10.61 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.54 34.52 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.68 52.11 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.66 19.1 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.714 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.35 2.906 . . . . 0.0 105.891 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.77 30.77 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.471 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.93 28.45 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 109.817 178.446 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.748 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.21 36.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -103.22 167.07 10.05 Favored 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.473 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -153.65 166.73 31.88 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.776 1.922 . . . . 0.0 109.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -153.37 161.32 42.44 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.867 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.96 -156.55 9.62 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.669 -1.151 . . . . 0.0 115.029 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.346 -2.363 . . . . 0.0 108.387 179.187 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.956 2.66 . . . . 0.0 108.902 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.02 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.512 2.661 1 O-C-N 130.425 4.828 . . . . 0.0 108.803 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.439 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.49 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.4 4.187 . . . . 0.0 108.067 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.9 49.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.097 0.873 . . . . 0.0 112.544 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.07 30.02 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.009 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.149 -1.594 . . . . 0.0 116.128 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.08 34.36 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 175.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.75 55.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.605 2.441 . . . . 0.0 106.049 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.02 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.596 3.06 . . . . 0.0 109.05 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.83 36.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.232 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.03 44.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.81 121.19 44.39 Favored 'General case' 0 N--CA 1.498 1.958 1 O-C-N 129.181 4.05 . . . . 0.0 103.596 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.62 15.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.698 3.124 . . . . 0.0 111.242 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.2 -2.273 . . . . 0.0 106.355 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.47 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.509 2.139 . . . . 0.0 111.957 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.851 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.58 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.18 2.8 . . . . 0.0 110.377 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.48 79.16 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.362 -0.836 . . . . 0.0 110.71 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.48 86.98 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 124.343 1.057 . . . . 0.0 111.501 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.028 1.455 . . . . 0.0 109.29 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.97 83.92 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.05 87.32 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 117.992 0.36 . . . . 0.0 111.21 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.2 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 120.428 -1.42 . . . . 0.0 110.829 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.52 77.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.62 79.26 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.495 2.569 . . . . 0.0 108.985 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.704 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.46 17.95 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.114 2.688 . . . . 0.0 113.958 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.26 5.3 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.82 83.43 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 118.761 -1.176 . . . . 0.0 111.029 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.117 2.544 . . . . 0.0 110.943 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.72 0 C-N-CA 120.7 0.933 . . . . 0.0 113.403 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.78 0 O-C-N 119.95 -1.719 . . . . 0.0 112.229 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.79 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.535 -1.353 . . . . 0.0 112.026 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 124.303 2.001 . . . . 0.0 115.671 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.9 23.86 Favored 'General case' 0 C--O 1.296 3.509 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.93 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.479 1.036 . . . . 0.0 109.979 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.146 1.529 . . . . 0.0 111.893 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.7 18.95 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.95 19.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.214 -2.266 . . . . 0.0 110.825 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.373 2.892 . . . . 0.0 117.469 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.804 -2.665 . . . . 0.0 103.804 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 117.757 -1.115 . . . . 0.0 109.982 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 125.081 1.488 . . . . 0.0 109.923 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.83 85.28 Favored Glycine 0 CA--C 1.492 -1.355 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 120.009 -1.877 . . . . 0.0 108.025 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.54 11.68 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.09 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.97 -29.55 70.7 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.299 -1.76 . . . . 0.0 112.193 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.31 70.59 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.451 1.119 . . . . 0.0 110.679 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.38 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.981 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.31 18.47 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.56 1.982 . . . . 0.0 111.211 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.169 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.102 2.126 . . . . 0.0 109.543 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 19.3 ptpt -54.78 143.02 26.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.267 1.508 . . . . 0.0 109.23 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.97 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 117.935 2.568 . . . . 0.0 117.935 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.681 -2.581 . . . . 0.0 105.757 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.5 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.945 . . . . 0.0 105.882 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.97 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.532 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 178.497 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.432 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.436 ' C ' ' H ' ' A' ' 73' ' ' LEU . . . -96.06 136.79 36.04 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -73.12 8.84 1.43 Allowed 'General case' 0 C--O 1.272 2.269 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.51 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 58.93 70.98 0.61 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 125.773 1.92 . . . . 0.0 109.85 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 42.61 -132.79 0.5 Allowed 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.769 -1.56 . . . . 0.0 108.827 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.55 93.11 0.11 Allowed Glycine 0 C--O 1.243 0.7 0 CA-C-N 114.661 -1.154 . . . . 0.0 115.121 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 CA-C-O 116.37 -2.35 . . . . 0.0 108.38 179.242 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 127.013 2.695 . . . . 0.0 108.939 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.0 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.465 4.853 . . . . 0.0 108.821 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.371 -3.204 . . . . 0.0 105.495 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.44 41.17 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.424 4.203 . . . . 0.0 108.058 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.69 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.071 0.857 . . . . 0.0 112.567 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.808 -2.357 . . . . 0.0 111.98 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.56 80.28 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.137 -1.602 . . . . 0.0 116.094 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.45 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.628 2.455 . . . . 0.0 105.967 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 127.544 3.028 . . . . 0.0 109.102 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.68 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.215 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.06 44.17 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 115.386 -2.245 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.119 4.012 . . . . 0.0 103.562 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 O-C-N 127.689 3.118 . . . . 0.0 111.21 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.48 37.56 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.179 -2.282 . . . . 0.0 106.325 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.4 38.76 Favored 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 122.551 2.167 . . . . 0.0 111.944 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.98 -8.12 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.914 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.311 -1.756 . . . . 0.0 109.864 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.45 21.17 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.221 2.826 . . . . 0.0 110.39 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.2 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.37 -0.831 . . . . 0.0 110.699 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.17 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.297 1.039 . . . . 0.0 111.549 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.37 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 125.057 1.473 . . . . 0.0 109.263 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.94 83.81 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.778 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.278 2.559 0 CA-C-N 117.97 0.35 . . . . 0.0 111.227 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.24 86.81 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 120.401 -1.437 . . . . 0.0 110.815 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.52 77.49 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.62 79.26 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 125.514 2.578 . . . . 0.0 109.014 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.754 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.091 2.678 . . . . 0.0 113.983 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.911 2.325 . . . . 0.0 118.911 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.92 83.27 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.045 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.77 Favored 'Trans proline' 0 C--O 1.258 1.512 0 C-N-CA 123.177 2.585 . . . . 0.0 110.94 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.664 0 O-C-N 122.851 0.922 . . . . 0.0 113.434 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.774 0 O-C-N 119.966 -1.709 . . . . 0.0 112.229 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.42 29.03 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.524 -1.36 . . . . 0.0 112.011 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.69 34.77 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 124.304 2.002 . . . . 0.0 115.647 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.87 23.83 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.24 50.9 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.483 1.038 . . . . 0.0 109.948 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.81 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 125.133 1.52 . . . . 0.0 111.863 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.95 19.52 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.819 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.08 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.313 2.864 . . . . 0.0 117.508 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.33 37.43 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 117.762 -1.114 . . . . 0.0 110.001 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.75 139.99 36.65 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.067 1.479 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.88 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.423 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.58 16.99 Favored 'General case' 0 C--O 1.25 1.102 0 O-C-N 119.998 -1.884 . . . . 0.0 108.005 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.2 79.26 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.349 -1.74 . . . . 0.0 112.135 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.31 70.56 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.41 1.1 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.67 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.644 -1.17 . . . . 0.0 112.956 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.561 1.982 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.42 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.161 -2.352 . . . . 0.0 106.186 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.068 2.105 . . . . 0.0 109.568 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.74 143.06 26.5 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 123.224 1.488 . . . . 0.0 109.281 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.21 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.51 34.53 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.739 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.409 2.943 . . . . 0.0 105.869 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.482 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 178.449 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.437 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.7 ' O ' ' H93' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.64 36.24 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -80.99 -130.5 0.02 OUTLIER 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -163.73 126.5 2.56 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 125.759 1.912 . . . . 0.0 109.831 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -98.63 130.93 45.16 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 113.789 -1.551 . . . . 0.0 108.859 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.68 159.31 27.9 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.652 -1.158 . . . . 0.0 115.092 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 CA-C-O 116.409 -2.328 . . . . 0.0 108.335 179.154 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 127.032 2.708 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 115.953 -1.975 . . . . 0.0 105.702 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.99 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.469 4.856 . . . . 0.0 108.812 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.477 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.52 41.24 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.94 49.55 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 124.039 0.837 . . . . 0.0 112.575 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.811 -2.356 . . . . 0.0 111.998 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.32 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.097 -1.627 . . . . 0.0 116.088 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.38 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 126.544 2.402 . . . . 0.0 106.03 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 127.631 3.082 . . . . 0.0 109.068 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.66 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.238 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.431 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.265 4.103 . . . . 0.0 103.563 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 O-C-N 127.737 3.148 . . . . 0.0 111.178 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.69 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.143 -2.298 . . . . 0.0 106.317 174.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 122.5 2.133 . . . . 0.0 111.96 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.91 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.46 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.843 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.17 2.794 . . . . 0.0 110.372 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.43 78.98 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.378 -0.826 . . . . 0.0 110.763 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.47 87.06 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.336 1.055 . . . . 0.0 111.507 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 125.023 1.452 . . . . 0.0 109.342 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.97 83.7 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.762 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.968 0.349 . . . . 0.0 111.152 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.31 87.04 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.358 -1.464 . . . . 0.0 110.829 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.53 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.531 2.586 . . . . 0.0 109.014 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.65 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.749 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.618 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.64 -6.34 8.06 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.132 2.696 . . . . 0.0 114.006 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.894 2.318 . . . . 0.0 118.894 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.81 124.87 83.17 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.109 2.539 . . . . 0.0 110.952 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.18 92.74 Favored 'Trans proline' 0 C--O 1.262 1.681 0 O-C-N 122.878 0.936 . . . . 0.0 113.438 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.6 63.64 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.77 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.511 -1.368 . . . . 0.0 112.054 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.72 34.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.304 2.002 . . . . 0.0 115.614 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.89 Favored 'General case' 0 C--O 1.296 3.543 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 51.0 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 119.448 1.022 . . . . 0.0 110.002 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.153 1.533 . . . . 0.0 111.88 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.795 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.08 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.363 2.887 . . . . 0.0 117.495 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.61 46.4 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.592 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.61 138.4 37.42 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.985 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 125.01 1.444 . . . . 0.0 109.98 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.69 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.03 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 119.954 -1.909 . . . . 0.0 107.959 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.17 79.25 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.183 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.51 -39.34 70.37 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.5 1.143 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.62 51.56 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.718 -1.134 . . . . 0.0 113.026 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.41 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 121.551 1.978 . . . . 0.0 111.209 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.072 -2.395 . . . . 0.0 106.186 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.131 2.145 . . . . 0.0 109.521 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 18.9 ptpt -54.78 143.0 26.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.226 1.489 . . . . 0.0 109.281 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.497 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.97 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.46 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.69 52.11 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.69 19.04 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.678 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.71 135.77 46.53 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.42 2.95 . . . . 0.0 105.852 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.78 30.78 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.619 -1.181 . . . . 0.0 111.465 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.163 0.506 . . . . 0.0 109.801 178.458 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.7 ' H93' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.762 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.17 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.32 127.73 34.83 Favored 'General case' 0 C--O 1.272 2.24 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.486 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 74' ' ' ARG . . . -70.19 126.52 29.9 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 125.784 1.927 . . . . 0.0 109.851 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.512 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -71.57 134.95 46.79 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 113.816 -1.538 . . . . 0.0 108.826 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.19 156.69 26.2 Favored Glycine 0 C--O 1.243 0.675 0 CA-C-N 114.622 -1.172 . . . . 0.0 115.08 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.44 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.398 179.034 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.2 31.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.96 2.662 . . . . 0.0 108.932 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.02 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.512 2.646 1 O-C-N 130.449 4.843 . . . . 0.0 108.794 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.421 -3.181 . . . . 0.0 105.485 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.415 4.197 . . . . 0.0 108.051 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.74 8.4 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.054 0.846 . . . . 0.0 112.614 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.07 30.0 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.014 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.44 80.41 Favored Glycine 0 C--N 1.298 -1.538 0 O-C-N 120.107 -1.62 . . . . 0.0 116.132 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.04 34.48 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.77 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.593 2.433 . . . . 0.0 106.024 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.96 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 127.624 3.078 . . . . 0.0 109.049 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.229 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 115.379 -2.248 . . . . 0.0 108.473 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.192 4.058 . . . . 0.0 103.545 174.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.67 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.678 3.111 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.49 37.77 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.281 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.44 39.31 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.538 2.159 . . . . 0.0 111.97 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.894 -177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.52 47.45 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.847 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.26 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 127.192 2.807 . . . . 0.0 110.401 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.44 78.95 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.366 -0.833 . . . . 0.0 110.696 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.53 86.78 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.353 1.061 . . . . 0.0 111.468 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.44 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 125.09 1.494 . . . . 0.0 109.288 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.99 83.79 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.766 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.99 87.11 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 118.047 0.385 . . . . 0.0 111.216 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.21 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 120.345 -1.472 . . . . 0.0 110.77 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.47 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.36 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.5 2.572 . . . . 0.0 108.983 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.72 66.48 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.712 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.644 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.38 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.109 2.686 . . . . 0.0 113.965 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.317 0 N-CA-C 118.887 2.315 . . . . 0.0 118.887 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.77 124.82 83.26 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.823 -1.151 . . . . 0.0 111.008 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.124 2.549 . . . . 0.0 110.888 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.76 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 122.908 0.951 . . . . 0.0 113.414 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.55 63.62 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.997 -1.689 . . . . 0.0 112.18 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.507 -1.371 . . . . 0.0 112.032 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.29 1.995 . . . . 0.0 115.647 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.23 50.93 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.453 1.024 . . . . 0.0 109.988 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.86 72.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.141 1.526 . . . . 0.0 111.924 -177.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.65 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 112.233 -2.258 . . . . 0.0 110.762 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.61 61.09 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.361 2.886 . . . . 0.0 117.5 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.051 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.02 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.031 1.457 . . . . 0.0 110.0 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.21 29.49 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.84 85.23 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.087 1.195 . . . . 0.0 116.087 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.966 -1.902 . . . . 0.0 107.969 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.22 79.29 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.269 -1.772 . . . . 0.0 112.174 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.34 70.51 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 122.461 1.124 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.979 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.557 1.981 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.46 30.38 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.108 -2.377 . . . . 0.0 106.17 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.47 169.54 8.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.138 2.149 . . . . 0.0 109.538 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.544 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.06 26.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.212 1.482 . . . . 0.0 109.227 -176.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.16 10.63 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.49 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.68 135.77 46.5 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.381 2.925 . . . . 0.0 105.906 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 117.621 -1.18 . . . . 0.0 111.532 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.163 0.506 . . . . 0.0 109.813 178.479 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.762 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.05 39.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 159.2 -164.76 0.0 OUTLIER 'General case' 0 C--O 1.272 2.272 0 CA-C-O 113.377 -3.201 . . . . 0.0 105.477 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 78.1 32.25 0.37 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 125.801 1.938 . . . . 0.0 109.817 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -83.62 129.21 34.96 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.85 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.36 161.78 28.69 Favored Glycine 0 C--O 1.243 0.693 0 CA-C-N 114.627 -1.169 . . . . 0.0 115.066 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 116.36 -2.355 . . . . 0.0 108.365 179.143 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.965 2.666 . . . . 0.0 108.898 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 173.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.435 4.834 . . . . 0.0 108.787 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.471 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.45 41.22 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.41 4.194 . . . . 0.0 108.035 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.76 8.39 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.96 49.67 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.085 0.866 . . . . 0.0 112.575 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.02 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.84 -2.344 . . . . 0.0 111.987 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.298 -1.57 0 O-C-N 120.113 -1.617 . . . . 0.0 116.129 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.04 34.46 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 174.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.32 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 126.619 2.45 . . . . 0.0 106.014 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.0 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.572 3.045 . . . . 0.0 109.034 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.2 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.04 44.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.424 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.27 44.58 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.169 4.043 . . . . 0.0 103.545 173.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 O-C-N 127.669 3.106 . . . . 0.0 111.194 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.138 -2.301 . . . . 0.0 106.356 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 122.575 2.183 . . . . 0.0 112.003 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.857 -177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.52 47.49 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.889 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.3 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 127.166 2.791 . . . . 0.0 110.394 175.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.45 79.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.369 -0.832 . . . . 0.0 110.742 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.46 86.88 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.341 1.056 . . . . 0.0 111.542 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.38 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 125.05 1.469 . . . . 0.0 109.341 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.96 83.84 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.773 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.01 87.02 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.98 0.355 . . . . 0.0 111.245 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.356 -1.465 . . . . 0.0 110.787 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.52 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.46 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.554 2.597 . . . . 0.0 109.012 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.694 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.33 8.1 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.1 2.682 . . . . 0.0 113.958 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.911 2.324 . . . . 0.0 118.911 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.4 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.988 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.119 2.546 . . . . 0.0 110.955 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.16 92.75 Favored 'Trans proline' 0 C--O 1.262 1.716 0 O-C-N 122.856 0.924 . . . . 0.0 113.375 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.969 -1.707 . . . . 0.0 112.202 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.481 -1.387 . . . . 0.0 112.009 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.278 1.989 . . . . 0.0 115.654 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.26 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.436 1.016 . . . . 0.0 110.022 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.77 72.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.164 1.54 . . . . 0.0 111.89 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.0 19.58 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.297 -2.229 . . . . 0.0 110.743 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.62 61.12 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.398 2.904 . . . . 0.0 117.49 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.12 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.35 37.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.023 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.73 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 125.073 1.483 . . . . 0.0 109.924 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.24 29.17 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.747 3.61 . . . . 0.0 120.747 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.88 85.24 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.015 -1.873 . . . . 0.0 108.021 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.63 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.13 -36.24 79.23 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.179 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.27 70.64 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.454 1.121 . . . . 0.0 110.723 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.002 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.51 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 121.52 1.964 . . . . 0.0 111.176 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.173 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.5 8.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.102 2.126 . . . . 0.0 109.529 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.73 143.06 26.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.186 1.47 . . . . 0.0 109.262 -176.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.88 19.19 10.67 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.71 52.25 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.728 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.39 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.443 2.964 . . . . 0.0 105.924 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.79 Favored 'General case' 0 C--O 1.283 2.832 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.478 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.87 28.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.192 0.52 . . . . 0.0 109.828 178.488 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.459 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.592 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.91 35.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -95.31 115.63 27.69 Favored 'General case' 0 C--O 1.271 2.226 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.528 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.432 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . -131.85 119.54 21.35 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 125.82 1.95 . . . . 0.0 109.856 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.432 ' H ' ' H ' ' A' ' 73' ' ' LEU . . . -162.34 176.38 10.6 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.765 -1.561 . . . . 0.0 108.843 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.75 -147.73 7.03 Favored Glycine 0 C--O 1.243 0.689 0 CA-C-N 114.692 -1.14 . . . . 0.0 115.093 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.388 -2.34 . . . . 0.0 108.365 179.151 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 127.0 2.687 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.416 4.823 . . . . 0.0 108.76 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.51 41.25 Favored 'General case' 0 N--CA 1.505 2.286 1 O-C-N 129.381 4.176 . . . . 0.0 108.05 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.84 49.04 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.044 0.84 . . . . 0.0 112.56 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.796 -2.362 . . . . 0.0 112.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.53 80.33 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 120.117 -1.614 . . . . 0.0 116.143 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.07 34.49 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.33 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 126.546 2.404 . . . . 0.0 106.016 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 127.586 3.054 . . . . 0.0 109.078 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.7 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 117.252 -1.779 . . . . 0.0 108.232 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.98 44.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 115.377 -2.249 . . . . 0.0 108.434 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.15 44.31 Favored 'General case' 0 N--CA 1.498 1.966 1 O-C-N 129.17 4.044 . . . . 0.0 103.61 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.01 170.64 15.88 Favored 'Isoleucine or valine' 0 C--O 1.251 1.148 0 O-C-N 127.7 3.125 . . . . 0.0 111.201 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.49 37.72 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.097 -2.319 . . . . 0.0 106.326 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.49 39.42 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.507 2.138 . . . . 0.0 111.918 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.13 59.12 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.874 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.44 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.875 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.42 21.2 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.214 2.821 . . . . 0.0 110.37 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.362 -0.836 . . . . 0.0 110.72 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.55 -44.37 86.99 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.264 1.026 . . . . 0.0 111.574 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.39 -46.45 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.069 1.481 . . . . 0.0 109.308 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.8 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.98 87.04 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-N 118.019 0.372 . . . . 0.0 111.251 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.26 86.88 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.387 -1.446 . . . . 0.0 110.83 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.53 79.57 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.565 2.602 . . . . 0.0 109.044 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.71 66.71 Favored 'General case' 0 C--O 1.254 1.33 0 CA-C-N 113.659 -1.61 . . . . 0.0 111.747 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.978 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.39 90.1 Favored Glycine 0 CA--C 1.477 -2.297 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.84 83.38 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.068 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.164 2.576 . . . . 0.0 110.953 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.77 Favored 'Trans proline' 0 C--O 1.262 1.714 0 C-N-CA 120.702 0.935 . . . . 0.0 113.396 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 119.938 -1.726 . . . . 0.0 112.218 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.48 28.74 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.485 -1.384 . . . . 0.0 112.048 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.71 129.65 34.8 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.305 2.002 . . . . 0.0 115.638 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 116.01 24.07 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.67 130.3 51.12 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.487 1.04 . . . . 0.0 109.981 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.86 72.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 125.16 1.537 . . . . 0.0 111.861 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.64 18.86 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.02 19.6 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.791 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 21.6 60.91 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.385 2.898 . . . . 0.0 117.515 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 103.795 -2.669 . . . . 0.0 103.795 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.38 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.034 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.112 1.508 . . . . 0.0 110.008 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.73 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.697 3.592 . . . . 0.0 120.697 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.422 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.04 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 119.955 -1.909 . . . . 0.0 108.009 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.54 11.67 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.2 79.16 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.133 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.25 70.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.485 1.136 . . . . 0.0 110.72 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.76 51.3 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.941 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.82 45.39 18.67 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.572 1.987 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.124 -2.369 . . . . 0.0 106.164 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.56 8.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.119 2.137 . . . . 0.0 109.539 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 12.0 mtpt -54.73 143.03 26.51 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.222 1.487 . . . . 0.0 109.262 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.67 52.07 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 118.294 -0.86 . . . . 0.0 108.68 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.752 -2.547 . . . . 0.0 105.724 174.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.47 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.891 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.546 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.171 0.51 . . . . 0.0 109.852 178.446 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.592 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -125.42 152.37 44.94 Favored 'General case' 0 C--O 1.272 2.263 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.515 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -137.25 127.11 25.64 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.794 1.934 . . . . 0.0 109.839 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -88.53 128.26 35.55 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.809 -1.541 . . . . 0.0 108.828 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.52 -176.16 49.57 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.115 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.406 0 CA-C-O 116.389 -2.339 . . . . 0.0 108.403 179.291 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 126.956 2.66 . . . . 0.0 108.949 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.517 4.886 . . . . 0.0 108.794 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.499 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.44 41.22 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.384 4.177 . . . . 0.0 108.012 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.368 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.95 49.64 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.014 0.821 . . . . 0.0 112.604 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 115.8 -2.36 . . . . 0.0 111.993 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.116 -1.615 . . . . 0.0 116.085 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.72 55.3 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 126.65 2.469 . . . . 0.0 106.013 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.584 3.053 . . . . 0.0 109.037 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.233 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.407 -2.235 . . . . 0.0 108.452 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.26 44.57 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.153 4.033 . . . . 0.0 103.608 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.65 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 O-C-N 127.694 3.121 . . . . 0.0 111.229 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 112.148 -2.297 . . . . 0.0 106.28 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.47 39.34 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.567 2.178 . . . . 0.0 111.915 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.17 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.903 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.877 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.49 21.21 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.25 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.178 2.799 . . . . 0.0 110.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.337 -0.852 . . . . 0.0 110.704 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.43 87.02 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.36 1.064 . . . . 0.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.45 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.089 1.493 . . . . 0.0 109.34 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.789 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.07 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.407 -1.433 . . . . 0.0 110.834 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.38 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 125.477 2.561 . . . . 0.0 109.0 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.72 66.57 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.718 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.44 17.92 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.3 8.1 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 123.076 2.671 . . . . 0.0 113.96 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.32 90.17 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.89 2.316 . . . . 0.0 118.89 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.66 124.83 83.45 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.206 2.604 . . . . 0.0 110.889 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.67 Favored 'Trans proline' 0 C--O 1.262 1.683 0 O-C-N 122.888 0.941 . . . . 0.0 113.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.56 63.62 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 119.969 -1.707 . . . . 0.0 112.242 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.92 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.531 -1.356 . . . . 0.0 112.045 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.64 34.8 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.336 2.017 . . . . 0.0 115.647 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.94 23.96 Favored 'General case' 0 C--O 1.297 3.571 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.499 1.045 . . . . 0.0 109.986 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.05 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 125.183 1.552 . . . . 0.0 111.9 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.87 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.07 19.4 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.249 -2.25 . . . . 0.0 110.804 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.364 2.888 . . . . 0.0 117.511 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.6 46.42 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 103.789 -2.671 . . . . 0.0 103.789 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.31 37.44 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.045 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 140.0 36.67 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.025 1.453 . . . . 0.0 109.971 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.14 29.43 Favored 'General case' 0 C--O 1.265 1.88 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.22 Favored Glycine 0 CA--C 1.492 -1.346 0 N-CA-C 116.076 1.19 . . . . 0.0 116.076 -177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.53 17.03 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 120.07 -1.841 . . . . 0.0 108.031 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.15 79.26 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.74 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 117.329 -1.749 . . . . 0.0 112.15 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.28 70.48 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.464 1.126 . . . . 0.0 110.701 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.69 51.5 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.946 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.4 18.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.578 1.99 . . . . 0.0 111.205 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.103 2.127 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -54.71 142.98 26.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.215 1.483 . . . . 0.0 109.25 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.12 10.59 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.52 34.51 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.67 52.14 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.66 19.08 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 114.689 -2.577 . . . . 0.0 105.739 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 127.399 2.937 . . . . 0.0 105.916 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.841 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.51 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.98 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.202 0.525 . . . . 0.0 109.808 178.497 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.446 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 82.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.24 36.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -114.93 115.28 26.66 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.525 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -72.73 128.23 34.91 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.753 1.908 . . . . 0.0 109.818 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -69.41 131.19 44.39 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.747 -1.569 . . . . 0.0 108.803 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.19 -179.24 52.47 Favored Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.622 -1.172 . . . . 0.0 115.097 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.358 -2.357 . . . . 0.0 108.366 179.279 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 126.956 2.66 . . . . 0.0 108.959 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 173.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.464 4.853 . . . . 0.0 108.764 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.5 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.44 41.2 Favored 'General case' 0 N--CA 1.504 2.257 1 O-C-N 129.417 4.198 . . . . 0.0 108.096 -178.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.9 49.35 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 124.067 0.854 . . . . 0.0 112.629 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.798 -2.361 . . . . 0.0 111.958 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.51 80.31 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.161 -1.587 . . . . 0.0 116.111 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.631 2.457 . . . . 0.0 105.987 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.611 3.069 . . . . 0.0 109.036 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.78 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.195 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.02 44.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.433 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.24 44.49 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.209 4.068 . . . . 0.0 103.561 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.65 15.72 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.671 3.107 . . . . 0.0 111.23 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.18 -2.282 . . . . 0.0 106.339 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.536 2.157 . . . . 0.0 111.96 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.895 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.45 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.88 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.189 2.806 . . . . 0.0 110.387 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.47 79.13 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.386 -0.821 . . . . 0.0 110.707 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.13 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 124.331 1.052 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.46 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.88 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 117.97 0.35 . . . . 0.0 111.239 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.28 86.91 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 120.424 -1.422 . . . . 0.0 110.755 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.49 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.57 79.37 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 125.488 2.566 . . . . 0.0 108.991 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.754 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.45 17.93 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.34 8.09 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.118 2.69 . . . . 0.0 113.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.3 90.16 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.9 83.34 Favored Pre-proline 0 C--O 1.243 0.756 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.026 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.91 79.55 Favored 'Trans proline' 0 C--O 1.26 1.584 0 C-N-CA 123.142 2.561 . . . . 0.0 110.952 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.73 Favored 'Trans proline' 0 C--O 1.262 1.694 0 O-C-N 122.863 0.928 . . . . 0.0 113.436 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.002 -1.687 . . . . 0.0 112.226 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.465 -1.397 . . . . 0.0 112.017 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.32 2.009 . . . . 0.0 115.656 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.97 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.446 1.021 . . . . 0.0 109.952 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.16 131.84 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.149 1.531 . . . . 0.0 111.929 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.71 18.97 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 45.98 19.29 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.62 61.09 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.313 2.863 . . . . 0.0 117.551 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.64 46.38 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.4 37.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.042 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.0 36.73 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.051 1.47 . . . . 0.0 109.98 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.21 30.09 Favored 'General case' 0 C--O 1.266 1.94 0 N-CA-C 120.675 3.583 . . . . 0.0 120.675 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.88 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.58 17.02 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.009 -1.877 . . . . 0.0 107.965 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.24 79.35 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.57 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.203 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.31 70.68 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 122.487 1.137 . . . . 0.0 110.74 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.995 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 121.555 1.98 . . . . 0.0 111.19 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.12 -2.372 . . . . 0.0 106.155 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 126.142 2.151 . . . . 0.0 109.56 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.474 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.08 26.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.194 1.473 . . . . 0.0 109.275 -176.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.15 10.67 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.948 2.573 . . . . 0.0 117.948 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.695 175.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.401 2.938 . . . . 0.0 105.88 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.79 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.475 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.216 0.531 . . . . 0.0 109.814 178.434 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.446 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.452 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.94 38.5 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -122.75 164.31 18.55 Favored 'General case' 0 C--O 1.273 2.302 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.512 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 69.27 82.58 0.16 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.745 1.903 . . . . 0.0 109.823 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -64.65 -39.79 94.32 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.867 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 118.29 147.02 8.22 Favored Glycine 0 C--O 1.243 0.705 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.07 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.422 -2.321 . . . . 0.0 108.35 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.686 . . . . 0.0 108.928 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.25 49.41 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.508 4.88 . . . . 0.0 108.759 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.519 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.505 2.317 1 O-C-N 129.429 4.206 . . . . 0.0 108.049 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.37 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.092 0.87 . . . . 0.0 112.612 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.44 15.08 29.98 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.872 -2.331 . . . . 0.0 112.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.5 80.4 Favored Glycine 0 C--N 1.298 -1.566 0 O-C-N 120.094 -1.629 . . . . 0.0 116.052 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.07 34.41 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.587 2.43 . . . . 0.0 106.043 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.615 3.072 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.197 -1.801 . . . . 0.0 108.231 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.96 44.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.431 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.27 44.59 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.204 4.065 . . . . 0.0 103.553 173.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 127.653 3.096 . . . . 0.0 111.214 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.52 37.7 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.13 -2.304 . . . . 0.0 106.363 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.42 39.52 Favored 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 122.512 2.141 . . . . 0.0 111.934 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.913 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.46 47.58 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.341 -1.743 . . . . 0.0 109.922 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.44 21.28 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.181 2.8 . . . . 0.0 110.361 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.49 79.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.376 -0.828 . . . . 0.0 110.747 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.4 87.17 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.367 1.067 . . . . 0.0 111.511 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.45 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.09 1.493 . . . . 0.0 109.292 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.12 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.015 0.371 . . . . 0.0 111.207 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.376 -1.452 . . . . 0.0 110.779 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.56 77.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.41 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.519 2.58 . . . . 0.0 108.97 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.73 66.41 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.737 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.825 -1.15 . . . . 0.0 111.03 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.87 79.26 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.182 2.588 . . . . 0.0 110.942 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.13 -32.22 92.73 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.871 0.932 . . . . 0.0 113.422 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.49 63.6 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 119.902 -1.748 . . . . 0.0 112.206 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.46 28.72 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.489 -1.382 . . . . 0.0 112.08 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 124.346 2.022 . . . . 0.0 115.613 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.9 23.85 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 172.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.28 50.94 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.504 1.047 . . . . 0.0 110.002 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.77 72.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.136 1.522 . . . . 0.0 111.925 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.04 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.97 19.49 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.768 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.62 61.02 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.343 2.878 . . . . 0.0 117.51 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.2 34.62 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.35 37.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.02 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 139.93 36.77 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.115 1.51 . . . . 0.0 109.913 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.2 29.2 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 -175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.89 85.21 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.57 17.06 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 119.993 -1.887 . . . . 0.0 108.008 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.17 79.19 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.61 70.78 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.14 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.31 70.64 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.437 1.113 . . . . 0.0 110.706 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.66 51.53 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.0 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.95 45.29 18.41 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.524 1.965 . . . . 0.0 111.204 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.21 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.149 -2.358 . . . . 0.0 106.158 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.48 8.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 126.067 2.105 . . . . 0.0 109.515 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 143.03 26.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.185 1.469 . . . . 0.0 109.242 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.17 10.62 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.1 126.73 52.32 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.14 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.725 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.391 2.932 . . . . 0.0 105.885 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.503 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.88 28.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.143 0.496 . . . . 0.0 109.853 178.472 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.452 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.633 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.741 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.35 39.2 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -115.82 169.79 8.95 Favored 'General case' 0 C--O 1.273 2.312 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.519 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 75.25 113.51 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 O-C-N 125.804 1.94 . . . . 0.0 109.826 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -139.55 22.35 2.52 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 113.764 -1.562 . . . . 0.0 108.85 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.513 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -159.93 176.46 36.65 Favored Glycine 0 C--O 1.244 0.735 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.073 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.456 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.388 179.133 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.015 2.697 . . . . 0.0 108.959 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.511 2.616 1 O-C-N 130.409 4.818 . . . . 0.0 108.788 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.539 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.51 41.23 Favored 'General case' 0 N--CA 1.505 2.304 1 O-C-N 129.394 4.183 . . . . 0.0 108.019 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.17 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.063 0.852 . . . . 0.0 112.581 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.02 30.18 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.83 -2.348 . . . . 0.0 111.955 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.51 80.34 Favored Glycine 0 C--N 1.297 -1.593 0 O-C-N 120.089 -1.632 . . . . 0.0 116.144 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.1 34.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.77 55.32 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.553 2.408 . . . . 0.0 106.031 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 127.559 3.037 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.71 36.75 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.169 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.03 44.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.355 -2.259 . . . . 0.0 108.438 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.27 44.6 Favored 'General case' 0 N--CA 1.498 1.973 1 O-C-N 129.205 4.066 . . . . 0.0 103.601 173.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.6 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.689 3.118 . . . . 0.0 111.204 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.92 144.49 37.55 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.327 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.44 39.25 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 122.532 2.155 . . . . 0.0 111.937 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.09 59.13 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.867 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.49 47.42 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.35 -1.74 . . . . 0.0 109.865 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.37 21.29 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.25 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.206 2.816 . . . . 0.0 110.385 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.362 -0.836 . . . . 0.0 110.729 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.44 86.96 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 111.484 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.45 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 125.072 1.482 . . . . 0.0 109.258 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.98 86.94 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.999 0.363 . . . . 0.0 111.189 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 120.406 -1.433 . . . . 0.0 110.781 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.4 77.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.62 79.15 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.467 2.556 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.51 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.118 2.69 . . . . 0.0 113.926 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.932 2.333 . . . . 0.0 118.932 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.992 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.9 79.46 Favored 'Trans proline' 0 C--O 1.26 1.605 0 C-N-CA 123.155 2.57 . . . . 0.0 110.901 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.14 92.67 Favored 'Trans proline' 0 C--O 1.262 1.695 0 O-C-N 122.861 0.927 . . . . 0.0 113.429 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.58 63.64 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.965 -1.709 . . . . 0.0 112.212 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.529 -1.357 . . . . 0.0 112.061 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.87 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.327 2.013 . . . . 0.0 115.654 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.97 23.96 Favored 'General case' 0 C--O 1.296 3.537 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.07 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.494 1.043 . . . . 0.0 109.955 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.75 72.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 125.21 1.568 . . . . 0.0 111.925 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.05 46.04 19.33 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.775 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.95 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 128.34 2.876 . . . . 0.0 117.5 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.03 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.044 1.465 . . . . 0.0 109.955 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.28 29.46 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.92 85.24 Favored Glycine 0 CA--C 1.492 -1.386 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.14 0 O-C-N 119.956 -1.908 . . . . 0.0 108.012 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.56 11.67 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.16 79.1 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.168 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.36 70.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.476 1.131 . . . . 0.0 110.698 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.65 51.51 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.651 -1.166 . . . . 0.0 112.972 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.4 18.44 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.588 1.994 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 CA-C-O 115.173 -2.346 . . . . 0.0 106.171 175.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.099 2.124 . . . . 0.0 109.502 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 11.9 ttpt -54.78 143.02 26.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.2 1.476 . . . . 0.0 109.271 -176.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.17 10.61 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.51 34.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.687 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.68 19.05 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.738 -2.554 . . . . 0.0 105.727 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.424 2.953 . . . . 0.0 105.905 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.77 30.76 Favored 'General case' 0 C--O 1.281 2.757 0 CA-C-O 117.625 -1.179 . . . . 0.0 111.472 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.07 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.212 0.53 . . . . 0.0 109.83 178.432 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.633 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.741 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.529 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -128.09 104.29 7.69 Favored 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.402 -3.19 . . . . 0.0 105.512 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -67.15 132.38 47.7 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 125.808 1.942 . . . . 0.0 109.83 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -66.26 146.61 54.41 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.884 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.63 140.64 15.14 Favored Glycine 0 C--O 1.244 0.737 0 CA-C-N 114.635 -1.166 . . . . 0.0 115.074 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.475 0 CA-C-O 116.352 -2.36 . . . . 0.0 108.359 179.265 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 126.961 2.663 . . . . 0.0 108.944 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.632 1 O-C-N 130.436 4.835 . . . . 0.0 108.786 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.2 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.35 4.156 . . . . 0.0 108.081 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.72 8.41 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.01 49.91 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.992 0.808 . . . . 0.0 112.577 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.98 30.26 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.789 -2.364 . . . . 0.0 111.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.33 Favored Glycine 0 C--N 1.297 -1.589 0 O-C-N 120.102 -1.624 . . . . 0.0 116.133 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.0 34.54 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.79 55.38 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.543 2.402 . . . . 0.0 105.991 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.53 142.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.608 3.068 . . . . 0.0 109.064 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.81 36.61 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.224 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.289 -2.291 . . . . 0.0 108.472 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.244 4.09 . . . . 0.0 103.565 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 O-C-N 127.708 3.13 . . . . 0.0 111.201 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.04 144.47 37.71 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.145 -2.298 . . . . 0.0 106.314 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.36 39.23 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.571 2.181 . . . . 0.0 111.978 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.14 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.88 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.49 47.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.878 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.37 21.23 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.17 -37.33 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.223 2.827 . . . . 0.0 110.372 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.44 79.1 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.295 -0.878 . . . . 0.0 110.727 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.51 87.03 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 124.323 1.049 . . . . 0.0 111.525 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 125.117 1.511 . . . . 0.0 109.331 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.98 83.86 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.22 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.987 0.358 . . . . 0.0 111.199 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 120.41 -1.431 . . . . 0.0 110.797 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.56 79.41 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.494 2.569 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.688 -1.597 . . . . 0.0 111.787 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.38 17.96 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.08 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 123.079 2.672 . . . . 0.0 113.972 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.284 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.37 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.02 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.29 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.177 2.584 . . . . 0.0 110.919 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.12 92.55 Favored 'Trans proline' 0 C--O 1.262 1.713 0 C-N-CA 120.694 0.929 . . . . 0.0 113.381 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.52 63.61 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.965 -1.71 . . . . 0.0 112.175 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.477 -1.39 . . . . 0.0 112.04 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.271 1.986 . . . . 0.0 115.616 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.89 23.88 Favored 'General case' 0 C--O 1.295 3.483 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.28 50.91 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.434 1.015 . . . . 0.0 109.935 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.163 1.54 . . . . 0.0 111.898 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.68 18.92 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 112.225 -2.262 . . . . 0.0 110.78 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.01 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 128.368 2.89 . . . . 0.0 117.488 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.67 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.028 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.75 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.051 1.469 . . . . 0.0 109.974 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.89 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.68 3.585 . . . . 0.0 120.68 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.24 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.014 -1.874 . . . . 0.0 107.951 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.27 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.136 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.27 70.66 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.481 1.134 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.75 51.31 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.987 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.552 1.978 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.151 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.061 2.1 . . . . 0.0 109.531 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -54.79 143.05 26.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.227 1.489 . . . . 0.0 109.256 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.2 10.65 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.732 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.204 0 O-C-N 127.466 2.979 . . . . 0.0 105.87 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.835 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.508 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.96 28.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.225 0.535 . . . . 0.0 109.849 178.419 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.529 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.18 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -120.69 128.18 52.73 Favored 'General case' 0 C--O 1.272 2.286 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.53 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -92.97 -176.15 4.1 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 125.796 1.935 . . . . 0.0 109.8 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.06 163.86 34.89 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.828 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.42 161.11 25.28 Favored Glycine 0 C--O 1.242 0.653 0 CA-C-N 114.681 -1.145 . . . . 0.0 115.086 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.401 0 CA-C-O 116.418 -2.323 . . . . 0.0 108.36 179.237 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 126.989 2.681 . . . . 0.0 108.93 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.05 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.436 4.835 . . . . 0.0 108.793 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.24 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.479 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.5 41.24 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.453 4.221 . . . . 0.0 108.036 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.57 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.069 0.856 . . . . 0.0 112.591 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.819 -2.352 . . . . 0.0 112.051 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.52 80.36 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.148 -1.595 . . . . 0.0 116.196 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 126.649 2.468 . . . . 0.0 106.048 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.96 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 127.534 3.021 . . . . 0.0 109.058 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.221 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 115.348 -2.263 . . . . 0.0 108.414 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.42 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.255 4.097 . . . . 0.0 103.561 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.229 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.73 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.155 -2.293 . . . . 0.0 106.357 174.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.538 2.159 . . . . 0.0 111.975 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.888 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.878 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.4 21.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.31 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.132 2.77 . . . . 0.0 110.331 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.36 -0.838 . . . . 0.0 110.736 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.46 86.84 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 124.346 1.059 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.48 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.093 1.496 . . . . 0.0 109.318 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.96 83.67 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.762 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.1 87.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 118.027 0.376 . . . . 0.0 111.264 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.383 -1.448 . . . . 0.0 110.816 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.42 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.28 -48.57 79.32 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.473 2.559 . . . . 0.0 108.985 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.72 66.52 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.767 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.95 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.127 2.694 . . . . 0.0 113.952 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.79 83.48 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.83 -1.148 . . . . 0.0 110.999 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.5 Favored 'Trans proline' 0 C--O 1.259 1.564 0 C-N-CA 123.109 2.539 . . . . 0.0 110.933 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.1 92.59 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 120.703 0.936 . . . . 0.0 113.384 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 120.004 -1.685 . . . . 0.0 112.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.9 -10.43 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.52 -1.363 . . . . 0.0 112.005 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.344 2.021 . . . . 0.0 115.657 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.53 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.437 1.017 . . . . 0.0 109.974 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.142 1.526 . . . . 0.0 111.9 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.64 18.9 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.52 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.817 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.52 61.0 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.354 2.883 . . . . 0.0 117.511 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 174.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.788 -1.101 . . . . 0.0 109.988 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.73 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.062 1.476 . . . . 0.0 109.949 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.17 29.32 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.89 85.19 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.53 17.07 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 119.989 -1.889 . . . . 0.0 107.975 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.63 11.61 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.27 79.42 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.311 -1.756 . . . . 0.0 112.205 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.34 70.53 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.494 1.14 . . . . 0.0 110.712 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.67 51.43 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.964 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.43 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.559 1.981 . . . . 0.0 111.162 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.37 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.164 -2.35 . . . . 0.0 106.208 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 0.0 109.517 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.416 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 22.1 pttp -54.73 143.02 26.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.21 1.481 . . . . 0.0 109.236 -176.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.14 10.61 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 118.272 -0.871 . . . . 0.0 108.679 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.709 -2.567 . . . . 0.0 105.715 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 127.397 2.936 . . . . 0.0 105.865 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.501 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.491 . . . . 0.0 109.877 178.439 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.485 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.72 34.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -49.06 -23.19 1.09 Allowed 'General case' 0 C--O 1.272 2.265 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.492 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 75.53 64.94 0.06 Allowed 'General case' 0 C--N 1.293 -1.88 0 O-C-N 125.809 1.943 . . . . 0.0 109.853 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 66.9 158.06 0.12 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.812 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.54 178.36 37.15 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-N 114.662 -1.154 . . . . 0.0 115.041 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.451 0 CA-C-O 116.396 -2.336 . . . . 0.0 108.4 179.272 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.991 2.682 . . . . 0.0 108.901 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.14 49.53 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.478 4.861 . . . . 0.0 108.749 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 113.419 -3.182 . . . . 0.0 105.514 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.06 127.52 41.18 Favored 'General case' 0 N--CA 1.505 2.277 1 O-C-N 129.379 4.175 . . . . 0.0 108.007 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.71 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.028 0.83 . . . . 0.0 112.592 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.832 -2.347 . . . . 0.0 111.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.182 -1.574 . . . . 0.0 116.116 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.82 55.32 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.613 2.445 . . . . 0.0 106.0 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.96 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.596 3.06 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.76 36.71 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.211 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.01 44.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.406 -2.235 . . . . 0.0 108.463 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.5 2.033 1 O-C-N 129.167 4.042 . . . . 0.0 103.572 174.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.62 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.195 0 O-C-N 127.698 3.124 . . . . 0.0 111.22 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 112.183 -2.28 . . . . 0.0 106.316 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.5 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 122.566 2.178 . . . . 0.0 112.013 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.82 -8.17 59.12 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.87 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.898 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.185 2.803 . . . . 0.0 110.365 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.47 79.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.354 -0.841 . . . . 0.0 110.735 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.03 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.342 1.057 . . . . 0.0 111.474 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.059 1.474 . . . . 0.0 109.329 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.97 83.65 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.29 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 118.006 0.366 . . . . 0.0 111.201 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.363 -1.461 . . . . 0.0 110.796 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.16 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.512 2.577 . . . . 0.0 109.031 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.71 66.45 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.77 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.09 2.677 . . . . 0.0 113.959 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.46 90.1 Favored Glycine 0 CA--C 1.478 -2.261 0 N-CA-C 118.849 2.299 . . . . 0.0 118.849 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.042 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.89 79.31 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.097 2.531 . . . . 0.0 110.914 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.71 Favored 'Trans proline' 0 C--O 1.261 1.665 0 C-N-CA 120.684 0.923 . . . . 0.0 113.486 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.976 -1.702 . . . . 0.0 112.237 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.78 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.474 -1.392 . . . . 0.0 112.052 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.7 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.624 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.96 24.02 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.25 51.02 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.48 1.036 . . . . 0.0 109.99 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.89 72.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.115 1.51 . . . . 0.0 111.893 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.31 129.66 18.85 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.01 19.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.783 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.53 61.07 Favored Glycine 0 N--CA 1.432 -1.568 0 C-N-CA 128.335 2.874 . . . . 0.0 117.519 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 103.773 -2.677 . . . . 0.0 103.773 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.35 37.43 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.007 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 139.99 36.7 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 125.025 1.453 . . . . 0.0 109.955 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.21 29.7 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.89 85.24 Favored Glycine 0 CA--C 1.492 -1.404 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.6 16.98 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.99 -1.888 . . . . 0.0 108.003 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.23 79.41 Favored 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.268 2.063 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.158 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.29 70.49 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.415 1.102 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.71 51.37 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.35 18.55 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 121.574 1.988 . . . . 0.0 111.216 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.47 30.41 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 CA-C-O 115.136 -2.364 . . . . 0.0 106.19 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.047 2.092 . . . . 0.0 109.482 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.583 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.197 1.475 . . . . 0.0 109.299 -176.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.668 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 114.679 -2.582 . . . . 0.0 105.733 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 127.451 2.97 . . . . 0.0 105.874 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.463 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 175.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.147 0.499 . . . . 0.0 109.842 178.445 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.21 38.14 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -93.42 -57.33 2.63 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.484 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 68.9 133.81 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.896 0 O-C-N 125.826 1.954 . . . . 0.0 109.881 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -153.45 166.08 33.8 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.825 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.84 -90.56 2.14 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 114.653 -1.158 . . . . 0.0 115.054 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.391 -2.338 . . . . 0.0 108.403 179.295 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.26 31.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 127.006 2.691 . . . . 0.0 108.909 178.338 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.456 4.847 . . . . 0.0 108.807 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.531 175.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.387 4.179 . . . . 0.0 108.072 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.77 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.078 0.861 . . . . 0.0 112.581 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 115.771 -2.372 . . . . 0.0 111.948 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.622 0 O-C-N 120.127 -1.608 . . . . 0.0 116.135 179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.582 2.426 . . . . 0.0 106.025 176.161 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.547 3.029 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.82 36.62 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.289 -1.764 . . . . 0.0 108.215 178.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.425 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.27 44.61 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 129.209 4.068 . . . . 0.0 103.542 174.023 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.59 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.675 3.109 . . . . 0.0 111.194 -177.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.55 37.7 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.282 174.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.47 39.61 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.585 2.19 . . . . 0.0 111.961 177.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.873 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.876 -179.032 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.43 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.171 2.794 . . . . 0.0 110.376 175.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.327 -0.858 . . . . 0.0 110.691 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.43 86.88 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.35 1.06 . . . . 0.0 111.492 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.016 1.447 . . . . 0.0 109.299 178.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.93 83.62 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.05 87.11 Favored 'General case' 0 C--O 1.279 2.606 0 CA-C-N 117.998 0.363 . . . . 0.0 111.241 176.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.32 87.04 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.38 -1.45 . . . . 0.0 110.784 176.044 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.4 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.476 2.56 . . . . 0.0 109.012 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.719 179.139 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.656 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.169 2.713 . . . . 0.0 113.941 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.31 0 N-CA-C 118.881 2.312 . . . . 0.0 118.881 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.88 83.4 Favored Pre-proline 0 C--O 1.244 0.772 0 C-N-CA 118.827 -1.149 . . . . 0.0 111.011 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.68 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.119 2.546 . . . . 0.0 110.952 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.13 92.69 Favored 'Trans proline' 0 C--O 1.262 1.699 0 C-N-CA 120.687 0.925 . . . . 0.0 113.43 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.978 -1.702 . . . . 0.0 112.217 -177.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.56 28.66 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 120.495 -1.378 . . . . 0.0 112.011 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.303 2.002 . . . . 0.0 115.643 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.118 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.455 1.025 . . . . 0.0 109.961 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.153 1.533 . . . . 0.0 111.904 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.52 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.22 -2.264 . . . . 0.0 110.789 177.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.58 61.03 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.375 2.893 . . . . 0.0 117.503 -179.493 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.594 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.018 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.74 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.067 1.48 . . . . 0.0 109.922 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.2 29.84 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.724 3.601 . . . . 0.0 120.724 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -177.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.015 -1.873 . . . . 0.0 108.017 176.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.49 164.55 11.67 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.127 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.56 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.454 1.121 . . . . 0.0 110.737 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.994 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.5 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.586 1.994 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.36 30.18 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.111 -2.376 . . . . 0.0 106.235 175.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.08 2.112 . . . . 0.0 109.522 -176.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.79 143.05 26.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.215 1.484 . . . . 0.0 109.251 -176.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.12 10.61 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.54 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.75 52.29 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.66 19.08 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.731 174.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.67 135.83 46.37 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 127.481 2.988 . . . . 0.0 105.877 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.86 30.91 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.512 176.536 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.93 28.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.126 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.167 0.508 . . . . 0.0 109.837 178.457 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.453 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.538 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.84 31.66 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . 117.39 125.97 0.0 OUTLIER 'General case' 0 C--O 1.272 2.267 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.513 -179.654 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -164.11 112.78 1.17 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.793 1.933 . . . . 0.0 109.835 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . 55.78 159.89 0.01 OUTLIER 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.805 -179.353 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 165.04 -169.16 39.54 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.583 -1.189 . . . . 0.0 115.066 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.435 0 CA-C-O 116.348 -2.362 . . . . 0.0 108.412 179.26 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 127.008 2.692 . . . . 0.0 108.866 178.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.362 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.471 4.857 . . . . 0.0 108.806 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.01 114.21 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.487 175.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.388 4.18 . . . . 0.0 108.058 -178.157 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.37 -6.99 49.76 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 112.599 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.799 -2.36 . . . . 0.0 112.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.5 80.32 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.146 -1.596 . . . . 0.0 116.121 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.04 34.43 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 174.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.81 55.37 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 126.587 2.429 . . . . 0.0 106.009 176.157 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.04 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 127.577 3.048 . . . . 0.0 109.037 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.75 36.74 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.01 44.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.44 -179.194 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.38 Favored 'General case' 0 N--CA 1.498 1.957 1 O-C-N 129.186 4.054 . . . . 0.0 103.597 173.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 O-C-N 127.657 3.098 . . . . 0.0 111.187 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.321 174.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.45 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.572 2.182 . . . . 0.0 111.932 177.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.12 59.12 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.899 -177.511 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.843 -179.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.44 21.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.173 2.796 . . . . 0.0 110.346 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.4 78.93 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.317 -0.865 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.51 86.7 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.325 1.05 . . . . 0.0 111.523 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.075 1.484 . . . . 0.0 109.299 178.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.92 83.67 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.787 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.99 86.94 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 118.027 0.376 . . . . 0.0 111.209 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 120.383 -1.448 . . . . 0.0 110.788 176.014 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.6 79.29 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.511 2.576 . . . . 0.0 109.028 179.5 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.77 66.46 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.642 -1.617 . . . . 0.0 111.758 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.44 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -175.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.49 -6.4 8.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.125 2.693 . . . . 0.0 113.984 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.828 2.291 . . . . 0.0 118.828 176.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.84 83.28 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.036 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.9 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.15 2.567 . . . . 0.0 110.894 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.711 0 O-C-N 122.862 0.927 . . . . 0.0 113.413 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 119.961 -1.712 . . . . 0.0 112.205 -177.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.45 28.89 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.451 -1.406 . . . . 0.0 111.989 178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.322 2.01 . . . . 0.0 115.638 -177.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.441 1.019 . . . . 0.0 109.933 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.16 1.537 . . . . 0.0 111.882 -177.535 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.04 19.44 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.264 -2.244 . . . . 0.0 110.785 177.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.34 2.876 . . . . 0.0 117.522 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.4 37.47 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.026 -175.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.71 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.061 1.475 . . . . 0.0 109.972 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.21 29.95 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.696 3.591 . . . . 0.0 120.696 -175.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.25 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.104 1.201 . . . . 0.0 116.104 -177.335 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 119.986 -1.891 . . . . 0.0 107.946 176.536 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.157 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.19 79.38 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.172 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.342 -1.743 . . . . 0.0 112.149 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.38 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.388 1.089 . . . . 0.0 110.641 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.73 51.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.989 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.33 18.52 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.557 1.98 . . . . 0.0 111.168 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.075 0 CA-C-O 115.142 -2.361 . . . . 0.0 106.137 175.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.084 2.115 . . . . 0.0 109.552 -176.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 0.5 OUTLIER -54.71 143.06 26.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 123.257 1.503 . . . . 0.0 109.28 -176.914 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.85 19.2 10.68 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.46 34.68 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.7 52.19 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.748 174.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 127.388 2.93 . . . . 0.0 105.862 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.571 -1.204 . . . . 0.0 111.507 176.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.113 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.187 0.518 . . . . 0.0 109.866 178.394 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.538 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.07 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -122.72 139.56 53.84 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.449 -179.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -90.82 3.24 54.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 125.763 1.914 . . . . 0.0 109.806 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' GLY . . . 60.63 -75.69 0.03 OUTLIER 'General case' 0 C--O 1.246 0.896 0 CA-C-N 113.795 -1.548 . . . . 0.0 108.848 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 126.44 -173.17 18.08 Favored Glycine 0 C--O 1.243 0.695 0 CA-C-N 114.671 -1.149 . . . . 0.0 115.088 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.413 0 CA-C-O 116.416 -2.324 . . . . 0.0 108.382 179.18 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.31 31.7 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.972 2.67 . . . . 0.0 108.921 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.422 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.443 4.839 . . . . 0.0 108.773 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.16 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.514 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.53 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.386 4.179 . . . . 0.0 108.025 -178.136 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.62 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.994 0.809 . . . . 0.0 112.597 -177.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.05 30.06 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.802 -2.359 . . . . 0.0 112.011 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.099 -1.625 . . . . 0.0 116.122 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.74 55.36 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.637 2.461 . . . . 0.0 106.04 176.152 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 127.552 3.032 . . . . 0.0 109.003 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.68 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.317 -1.753 . . . . 0.0 108.217 178.12 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.24 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.436 -179.198 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.02 1 O-C-N 129.196 4.06 . . . . 0.0 103.548 173.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.63 15.72 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.668 3.105 . . . . 0.0 111.215 -177.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.345 174.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.48 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 122.562 2.174 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.843 -177.452 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.858 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.663 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 127.198 2.811 . . . . 0.0 110.362 175.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.401 -0.812 . . . . 0.0 110.724 177.04 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.48 86.87 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 124.307 1.043 . . . . 0.0 111.549 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.47 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.051 1.47 . . . . 0.0 109.329 178.498 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -38.0 83.86 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.791 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.97 87.0 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 118.021 0.373 . . . . 0.0 111.248 176.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.35 -37.3 87.03 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 120.377 -1.452 . . . . 0.0 110.81 176.017 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.56 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.54 79.6 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.579 2.609 . . . . 0.0 109.003 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.68 66.67 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.705 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.44 17.94 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.669 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.113 2.688 . . . . 0.0 113.962 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.066 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.92 79.57 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.121 2.548 . . . . 0.0 110.898 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 122.878 0.936 . . . . 0.0 113.448 -179.351 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.32 -15.51 63.59 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 119.983 -1.698 . . . . 0.0 112.216 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.42 28.96 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.504 -1.372 . . . . 0.0 112.047 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.289 1.995 . . . . 0.0 115.609 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 24.0 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.121 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.63 130.27 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.483 1.038 . . . . 0.0 109.952 -177.558 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 O-C-N 125.177 1.548 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.7 18.94 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.552 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.07 19.24 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 112.259 -2.246 . . . . 0.0 110.797 177.402 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.52 60.93 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.324 2.869 . . . . 0.0 117.474 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.526 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.024 -175.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.74 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.042 1.463 . . . . 0.0 109.924 -177.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.23 29.1 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.26 Favored Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.315 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.003 -1.881 . . . . 0.0 107.996 176.514 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.22 79.34 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.175 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.23 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.455 1.121 . . . . 0.0 110.747 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.977 179.314 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.38 18.51 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 121.521 1.964 . . . . 0.0 111.233 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.45 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.166 -2.35 . . . . 0.0 106.135 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 126.106 2.129 . . . . 0.0 109.482 -176.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -54.77 143.02 26.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.221 1.486 . . . . 0.0 109.273 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.21 10.65 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.56 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 118.275 -0.869 . . . . 0.0 108.688 175.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.61 19.15 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.721 175.045 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.352 2.908 . . . . 0.0 105.883 177.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.863 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.533 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.234 0.54 . . . . 0.0 109.787 178.487 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.433 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 ' H ' ' H41' ' A' ' 101' ' ' MTN . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.486 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.25 32.51 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' C ' ' N ' ' A' ' 74' ' ' ARG . . . -130.12 130.97 45.47 Favored 'General case' 0 C--O 1.272 2.251 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.45 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -62.16 -41.47 98.33 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.828 1.955 . . . . 0.0 109.838 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 72' ' ' ARG . . . 43.83 69.05 0.44 Allowed 'General case' 0 C--O 1.246 0.882 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.852 -179.359 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.63 177.85 45.8 Favored Glycine 0 C--O 1.243 0.718 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.067 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 CA-C-O 116.432 -2.316 . . . . 0.0 108.388 179.369 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 127.009 2.693 . . . . 0.0 108.921 178.325 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 173.397 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.23 49.46 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.472 4.857 . . . . 0.0 108.773 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.49 41.2 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.396 4.185 . . . . 0.0 108.034 -178.162 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.79 8.35 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.829 -1.082 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.98 49.85 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.036 0.835 . . . . 0.0 112.575 -177.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.97 30.3 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 115.844 -2.342 . . . . 0.0 112.02 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.37 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.171 -1.58 . . . . 0.0 116.077 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.09 34.35 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.76 55.29 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.616 2.447 . . . . 0.0 106.01 176.176 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.04 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.042 . . . . 0.0 109.055 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.81 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.236 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.04 44.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 115.352 -2.261 . . . . 0.0 108.429 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.38 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.233 4.083 . . . . 0.0 103.539 174.01 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.717 3.136 . . . . 0.0 111.191 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.303 174.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.04 -24.35 39.66 Favored 'Trans proline' 0 C--N 1.319 -0.98 0 C-N-CA 122.513 2.142 . . . . 0.0 111.971 177.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.12 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.901 -177.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.54 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.304 -1.759 . . . . 0.0 109.883 -179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.244 2.84 . . . . 0.0 110.328 175.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.43 79.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.393 -0.817 . . . . 0.0 110.751 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.48 86.95 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 124.324 1.05 . . . . 0.0 111.5 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.48 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 125.006 1.441 . . . . 0.0 109.335 178.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.03 83.82 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.731 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.24 Favored 'General case' 0 C--O 1.279 2.611 0 CA-C-N 118.025 0.375 . . . . 0.0 111.196 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -37.42 87.41 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.415 -1.428 . . . . 0.0 110.802 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.48 77.57 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.26 -48.54 79.48 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 125.494 2.569 . . . . 0.0 108.996 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.57 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.745 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.95 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.34 8.08 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.09 2.677 . . . . 0.0 113.94 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.35 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.03 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.574 0 C-N-CA 123.117 2.545 . . . . 0.0 110.91 178.269 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.09 92.52 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 122.857 0.925 . . . . 0.0 113.386 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.55 63.61 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 119.937 -1.727 . . . . 0.0 112.184 -177.419 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.5 28.8 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.481 -1.387 . . . . 0.0 112.066 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.267 1.984 . . . . 0.0 115.667 -177.673 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.93 23.93 Favored 'General case' 0 C--O 1.295 3.5 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 172.063 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.55 130.29 50.93 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.411 1.005 . . . . 0.0 109.978 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.168 1.543 . . . . 0.0 111.906 -177.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.89 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.04 19.58 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.223 -2.262 . . . . 0.0 110.752 177.365 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.335 2.874 . . . . 0.0 117.516 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.34 34.59 Favored 'General case' 0 C--O 1.259 1.605 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 174.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.33 37.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.03 -175.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.72 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.078 1.486 . . . . 0.0 109.937 -177.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.29 29.04 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.82 85.35 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.287 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.57 165.64 16.9 Favored 'General case' 0 C--O 1.251 1.135 0 O-C-N 120.001 -1.882 . . . . 0.0 108.006 176.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 177.161 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.15 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.134 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.32 70.6 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.51 1.148 . . . . 0.0 110.77 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.985 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.35 18.44 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 121.536 1.971 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.187 175.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.54 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.073 2.108 . . . . 0.0 109.505 -176.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -54.78 143.06 26.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.226 1.489 . . . . 0.0 109.242 -176.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.13 10.63 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.57 34.44 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.68 19.06 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.657 -2.592 . . . . 0.0 105.759 174.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.239 0 O-C-N 127.431 2.957 . . . . 0.0 105.857 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.786 0 CA-C-O 117.604 -1.188 . . . . 0.0 111.545 176.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.618 -2.734 . . . . 0.0 103.618 175.143 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.138 0.494 . . . . 0.0 109.865 178.459 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.486 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.472 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.544 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.05 35.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -90.42 175.12 7.21 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.493 -178.087 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -77.12 148.32 36.09 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.767 1.917 . . . . 0.0 109.825 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.66 -39.35 94.12 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.881 -179.333 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.36 156.46 52.27 Favored Glycine 0 C--O 1.244 0.721 0 CA-C-N 114.67 -1.15 . . . . 0.0 115.07 -179.329 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.423 179.203 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.26 31.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 126.981 2.675 . . . . 0.0 108.916 178.355 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.369 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.665 1 O-C-N 130.457 4.848 . . . . 0.0 108.794 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.52 175.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.49 41.24 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.428 4.205 . . . . 0.0 108.062 -178.171 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.8 8.35 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.0 49.94 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.106 0.879 . . . . 0.0 112.614 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 115.822 -2.351 . . . . 0.0 111.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.108 -1.62 . . . . 0.0 116.132 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.578 2.424 . . . . 0.0 106.002 176.181 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.96 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.571 3.045 . . . . 0.0 109.027 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.237 -1.785 . . . . 0.0 108.252 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 115.38 -2.247 . . . . 0.0 108.456 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.5 Favored 'General case' 0 N--CA 1.499 2.022 1 O-C-N 129.2 4.062 . . . . 0.0 103.575 173.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.747 3.154 . . . . 0.0 111.214 -177.872 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.5 37.65 Favored Pre-proline 0 C--N 1.313 -0.991 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.327 174.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.48 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.565 2.176 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.2 59.16 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.913 -177.484 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.53 47.49 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.908 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.43 21.18 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 127.165 2.791 . . . . 0.0 110.374 175.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.46 79.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 176.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.95 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.331 1.052 . . . . 0.0 111.534 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.108 1.505 . . . . 0.0 109.362 178.515 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.94 83.63 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.26 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-N 117.974 0.352 . . . . 0.0 111.243 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.35 87.18 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 120.34 -1.475 . . . . 0.0 110.776 176.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.46 77.48 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.57 79.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.512 2.577 . . . . 0.0 109.035 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.77 66.58 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.765 179.14 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.5 -6.42 8.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.13 2.695 . . . . 0.0 114.009 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.14 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.891 2.316 . . . . 0.0 118.891 176.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.64 124.84 83.49 Favored Pre-proline 0 C--O 1.243 0.715 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.989 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.95 79.76 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.124 2.549 . . . . 0.0 110.967 178.163 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.29 -32.09 92.73 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.851 0.921 . . . . 0.0 113.44 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.902 -1.749 . . . . 0.0 112.175 -177.427 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.535 -1.353 . . . . 0.0 112.034 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.292 1.996 . . . . 0.0 115.646 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.128 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.22 50.97 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.453 1.024 . . . . 0.0 110.018 -177.597 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 125.127 1.517 . . . . 0.0 111.879 -177.439 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 177.563 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.04 19.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 112.249 -2.251 . . . . 0.0 110.739 177.347 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.55 60.94 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.355 2.883 . . . . 0.0 117.524 -179.494 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.652 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 103.814 -2.662 . . . . 0.0 103.814 174.51 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.33 37.53 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.033 -175.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 125.02 1.45 . . . . 0.0 109.946 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.14 -42.19 28.73 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.23 Favored Glycine 0 CA--C 1.491 -1.426 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 120.045 -1.856 . . . . 0.0 108.012 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.114 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.27 -36.16 79.26 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.338 -1.745 . . . . 0.0 112.139 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.34 70.48 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.455 1.121 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.7 51.35 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.703 -1.142 . . . . 0.0 112.986 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 121.549 1.977 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.024 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.204 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.56 8.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 126.12 2.138 . . . . 0.0 109.488 -176.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.529 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -54.78 143.05 26.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 123.173 1.463 . . . . 0.0 109.273 -176.912 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.58 34.44 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.26 126.7 52.12 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 174.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.45 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.431 2.957 . . . . 0.0 105.874 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.573 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 175.193 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.194 0.521 . . . . 0.0 109.797 178.469 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.567 ' H71' ' S1 ' ' A' ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.98 38.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -173.06 -144.3 0.03 OUTLIER 'General case' 0 C--O 1.272 2.246 0 CA-C-O 113.358 -3.211 . . . . 0.0 105.489 -179.291 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 40.41 49.88 2.66 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 125.814 1.946 . . . . 0.0 109.845 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -92.58 131.06 38.02 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.865 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.19 156.9 53.5 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.07 -179.389 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.396 179.117 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.946 2.654 . . . . 0.0 108.956 178.328 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.0 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.401 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.27 49.4 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.463 4.852 . . . . 0.0 108.821 179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.388 -3.196 . . . . 0.0 105.546 175.849 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.275 1 O-C-N 129.386 4.179 . . . . 0.0 108.049 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.96 49.6 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.055 0.847 . . . . 0.0 112.592 -177.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.845 -2.342 . . . . 0.0 111.952 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.44 80.36 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.135 -1.603 . . . . 0.0 116.164 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 174.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 126.642 2.464 . . . . 0.0 106.047 176.147 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.638 3.086 . . . . 0.0 109.058 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.76 36.64 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.218 -1.793 . . . . 0.0 108.237 178.142 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.01 44.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.26 44.58 Favored 'General case' 0 N--CA 1.499 1.995 1 O-C-N 129.194 4.058 . . . . 0.0 103.539 173.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.63 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 O-C-N 127.697 3.123 . . . . 0.0 111.205 -177.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.46 37.62 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.171 -2.286 . . . . 0.0 106.312 174.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.35 39.37 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.524 2.149 . . . . 0.0 111.987 177.685 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.889 -177.517 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.54 47.44 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.835 -179.073 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.46 21.24 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.31 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.134 2.771 . . . . 0.0 110.419 175.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.51 79.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.342 -0.849 . . . . 0.0 110.763 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.18 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.306 1.042 . . . . 0.0 111.524 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.093 1.495 . . . . 0.0 109.322 178.539 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.91 Favored 'General case' 0 C--O 1.255 1.383 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.944 0.338 . . . . 0.0 111.212 176.886 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.424 -1.422 . . . . 0.0 110.77 176.011 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.56 79.44 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.512 2.577 . . . . 0.0 108.991 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.72 66.37 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.781 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.679 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.39 8.11 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.101 2.682 . . . . 0.0 113.957 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.37 90.12 Favored Glycine 0 CA--C 1.477 -2.323 0 N-CA-C 118.895 2.318 . . . . 0.0 118.895 176.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 118.843 -1.143 . . . . 0.0 111.014 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.03 136.98 79.89 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.187 2.591 . . . . 0.0 110.907 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.21 92.9 Favored 'Trans proline' 0 C--O 1.261 1.674 0 C-N-CA 120.703 0.935 . . . . 0.0 113.42 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.974 -1.703 . . . . 0.0 112.202 -177.422 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.495 -1.378 . . . . 0.0 112.021 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 124.297 1.998 . . . . 0.0 115.645 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 172.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 50.98 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 119.467 1.031 . . . . 0.0 109.993 -177.52 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.8 72.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 125.166 1.541 . . . . 0.0 111.902 -177.495 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.66 18.96 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.786 177.368 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.58 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.371 2.891 . . . . 0.0 117.536 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.485 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.43 37.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.786 -1.102 . . . . 0.0 110.006 -175.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.73 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.063 1.477 . . . . 0.0 109.936 -177.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.23 29.91 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.662 3.578 . . . . 0.0 120.662 -175.781 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.3 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.61 16.98 Favored 'General case' 0 C--O 1.25 1.124 0 O-C-N 120.016 -1.873 . . . . 0.0 108.016 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.24 79.37 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.163 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.57 70.75 Favored 'General case' 0 C--O 1.268 2.046 0 C-N-CA 117.339 -1.744 . . . . 0.0 112.116 -179.479 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.27 70.68 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.505 1.145 . . . . 0.0 110.713 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.967 179.315 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.35 18.46 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.545 1.975 . . . . 0.0 111.173 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.45 30.39 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 CA-C-O 115.099 -2.381 . . . . 0.0 106.2 175.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.077 2.111 . . . . 0.0 109.51 -176.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 143.02 26.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 123.198 1.475 . . . . 0.0 109.268 -176.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.51 34.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.69 52.17 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.67 19.07 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.697 -2.573 . . . . 0.0 105.704 174.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.78 46.44 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.442 2.964 . . . . 0.0 105.871 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.809 0 CA-C-O 117.586 -1.197 . . . . 0.0 111.531 176.572 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.607 -2.738 . . . . 0.0 103.607 175.103 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 178.461 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.35 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -83.58 -79.39 0.2 Allowed 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.498 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 59.2 -179.84 0.08 Allowed 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.828 1.955 . . . . 0.0 109.834 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' H ' ' H ' ' A' ' 75' ' ' GLY . . . 69.55 46.25 0.74 Allowed 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.821 -179.383 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -85.65 -175.51 50.19 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.092 -179.359 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 CA-C-O 116.37 -2.35 . . . . 0.0 108.33 179.183 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.954 2.659 . . . . 0.0 108.951 178.273 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.407 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.23 49.44 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.46 4.85 . . . . 0.0 108.81 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.14 114.25 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.431 -3.176 . . . . 0.0 105.501 175.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.45 41.25 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.406 4.191 . . . . 0.0 108.042 -178.117 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.8 8.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.53 -6.91 49.47 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 124.061 0.851 . . . . 0.0 112.601 -177.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.803 -2.359 . . . . 0.0 112.003 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.583 0 O-C-N 120.15 -1.594 . . . . 0.0 116.116 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.09 34.4 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.74 55.32 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.641 2.463 . . . . 0.0 106.028 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 127.62 3.075 . . . . 0.0 109.06 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.81 36.57 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.268 178.123 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.0 44.31 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.359 -2.257 . . . . 0.0 108.432 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.223 4.077 . . . . 0.0 103.565 174.003 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.04 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 O-C-N 127.691 3.119 . . . . 0.0 111.181 -177.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.55 37.86 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.133 -2.303 . . . . 0.0 106.306 174.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.533 2.155 . . . . 0.0 111.98 177.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.15 59.12 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.922 -177.534 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.87 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.37 21.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.17 2.794 . . . . 0.0 110.311 175.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.375 -0.828 . . . . 0.0 110.751 176.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.41 87.05 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.301 1.04 . . . . 0.0 111.531 -179.641 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 178.498 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.87 -37.88 83.65 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.01 86.96 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 117.987 0.358 . . . . 0.0 111.225 176.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.422 -1.424 . . . . 0.0 110.816 176.019 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.52 77.61 Favored 'Isoleucine or valine' 0 C--O 1.253 1.252 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.62 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.458 2.552 . . . . 0.0 108.973 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.74 66.49 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.694 179.189 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.47 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 -175.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 123.092 2.678 . . . . 0.0 113.947 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.34 90.13 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.838 2.295 . . . . 0.0 118.838 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.36 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.763 -1.175 . . . . 0.0 111.01 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.93 79.62 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.106 2.538 . . . . 0.0 110.936 178.207 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.662 0 O-C-N 122.872 0.933 . . . . 0.0 113.421 -179.313 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.948 -1.72 . . . . 0.0 112.21 -177.473 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.44 28.86 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.527 -1.358 . . . . 0.0 112.048 178.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.88 129.77 34.76 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.308 2.004 . . . . 0.0 115.615 -177.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.98 24.0 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 172.097 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.26 51.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.443 1.02 . . . . 0.0 110.009 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.188 1.555 . . . . 0.0 111.891 -177.43 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.92 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.03 19.38 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.262 -2.244 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.5 61.05 Favored Glycine 0 N--CA 1.432 -1.587 0 C-N-CA 128.34 2.876 . . . . 0.0 117.503 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.688 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.557 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.086 -175.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.109 1.506 . . . . 0.0 109.976 -177.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.21 29.88 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.73 3.604 . . . . 0.0 120.73 -175.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.32 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 -177.353 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.63 16.96 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 119.962 -1.905 . . . . 0.0 107.973 176.518 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.64 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.119 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.19 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.136 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.82 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.356 -1.738 . . . . 0.0 112.164 -179.441 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 122.45 1.119 . . . . 0.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.47 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.976 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.39 18.36 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 121.543 1.974 . . . . 0.0 111.179 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.37 30.23 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.169 -2.348 . . . . 0.0 106.194 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.086 2.116 . . . . 0.0 109.533 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.421 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 38.9 ttpt -54.79 143.02 26.84 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.215 1.483 . . . . 0.0 109.262 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.55 34.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.722 174.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.76 46.45 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 127.405 2.94 . . . . 0.0 105.871 177.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.82 30.84 Favored 'General case' 0 C--O 1.283 2.829 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.51 176.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.186 0.517 . . . . 0.0 109.846 178.389 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.43 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.725 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.7 36.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -84.47 -151.17 0.12 Allowed 'General case' 0 C--O 1.272 2.237 0 CA-C-O 113.381 -3.2 . . . . 0.0 105.501 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -156.8 136.06 12.06 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.841 1.963 . . . . 0.0 109.792 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 49.44 -142.25 0.6 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.903 -179.424 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -174.01 -156.58 13.8 Favored Glycine 0 C--O 1.243 0.7 0 CA-C-N 114.668 -1.151 . . . . 0.0 115.117 -179.413 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.4 0 CA-C-O 116.382 -2.343 . . . . 0.0 108.373 179.219 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 126.987 2.679 . . . . 0.0 108.964 178.303 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.21 162.98 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 CA-C-O 115.941 -1.98 . . . . 0.0 105.662 173.377 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.18 49.47 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.486 4.866 . . . . 0.0 108.816 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.484 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.366 4.166 . . . . 0.0 108.077 -178.208 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.54 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.049 0.843 . . . . 0.0 112.608 -177.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.06 30.03 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.779 -2.368 . . . . 0.0 111.967 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.619 0 O-C-N 120.144 -1.597 . . . . 0.0 116.121 179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.35 138.11 34.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.76 55.31 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.617 2.448 . . . . 0.0 106.034 176.151 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.97 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.609 3.068 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.249 -1.78 . . . . 0.0 108.254 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 115.315 -2.279 . . . . 0.0 108.464 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.26 4.1 . . . . 0.0 103.601 173.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.68 15.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.746 3.154 . . . . 0.0 111.188 -177.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.314 174.748 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.45 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.611 2.207 . . . . 0.0 111.978 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.906 -177.487 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.59 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.876 -179.063 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.43 21.27 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.682 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.19 2.806 . . . . 0.0 110.356 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.41 79.32 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.347 -0.845 . . . . 0.0 110.717 177.031 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.53 86.94 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 124.384 1.074 . . . . 0.0 111.48 -179.628 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 125.058 1.474 . . . . 0.0 109.266 178.53 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.71 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.802 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.23 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 117.94 0.336 . . . . 0.0 111.237 176.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.434 -1.416 . . . . 0.0 110.799 176.036 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.47 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.186 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.55 79.52 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.531 2.586 . . . . 0.0 108.985 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.73 66.61 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 113.644 -1.616 . . . . 0.0 111.732 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.689 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.651 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.31 8.11 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.136 2.698 . . . . 0.0 113.963 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.528 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.32 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.784 -1.167 . . . . 0.0 110.985 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.258 1.525 0 C-N-CA 123.141 2.56 . . . . 0.0 110.928 178.196 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.12 92.7 Favored 'Trans proline' 0 C--O 1.261 1.673 0 C-N-CA 120.678 0.919 . . . . 0.0 113.428 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 119.999 -1.688 . . . . 0.0 112.183 -177.451 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.78 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.463 -1.398 . . . . 0.0 112.029 178.678 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.318 2.008 . . . . 0.0 115.635 -177.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.98 24.01 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.907 -2.256 . . . . 0.0 104.907 172.109 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.28 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.461 1.028 . . . . 0.0 109.993 -177.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.154 1.534 . . . . 0.0 111.926 -177.526 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.68 18.93 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.501 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.02 19.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.736 177.366 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.55 61.06 Favored Glycine 0 N--CA 1.432 -1.617 0 C-N-CA 128.387 2.899 . . . . 0.0 117.526 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.67 46.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.691 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 174.522 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.048 -175.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.0 36.77 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.053 1.471 . . . . 0.0 109.926 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.25 29.32 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 120.703 3.594 . . . . 0.0 120.703 -175.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.367 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.351 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 120.038 -1.86 . . . . 0.0 107.985 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.53 11.69 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.127 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.23 79.25 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.16 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.65 70.82 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.314 -1.755 . . . . 0.0 112.16 -179.449 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.46 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.415 1.102 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.7 51.38 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.953 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.34 18.43 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 121.558 1.981 . . . . 0.0 111.196 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.056 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.21 175.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.099 2.124 . . . . 0.0 109.522 -176.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 18.6 ptpt -54.76 143.02 26.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.235 1.493 . . . . 0.0 109.24 -176.858 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.18 10.61 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 174.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.71 52.15 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.052 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.74 46.49 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.437 2.961 . . . . 0.0 105.89 177.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.89 Favored 'General case' 0 C--O 1.282 2.807 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.487 176.556 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.096 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.194 0.521 . . . . 0.0 109.827 178.453 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.725 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.38 36.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -126.01 115.27 19.62 Favored 'General case' 0 C--O 1.272 2.26 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.494 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -79.3 112.83 16.92 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.796 1.935 . . . . 0.0 109.826 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -110.13 129.78 55.65 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 113.749 -1.569 . . . . 0.0 108.856 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.19 -173.28 33.46 Favored Glycine 0 C--O 1.243 0.661 0 CA-C-N 114.648 -1.16 . . . . 0.0 115.055 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 CA-C-O 116.386 -2.341 . . . . 0.0 108.402 179.156 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.99 2.681 . . . . 0.0 108.946 178.313 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 CA-C-O 115.947 -1.978 . . . . 0.0 105.671 173.371 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.505 4.878 . . . . 0.0 108.776 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.499 175.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.406 4.192 . . . . 0.0 108.042 -178.157 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.79 8.36 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.795 -1.097 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.94 49.62 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.082 0.864 . . . . 0.0 112.609 -178.009 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 115.839 -2.344 . . . . 0.0 111.986 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.51 80.29 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.092 -1.63 . . . . 0.0 116.118 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.07 34.46 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.79 55.33 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 126.626 2.454 . . . . 0.0 106.019 176.165 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.642 3.089 . . . . 0.0 109.007 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.63 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 117.271 -1.772 . . . . 0.0 108.192 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.463 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.188 4.055 . . . . 0.0 103.577 174.014 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.66 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.661 3.101 . . . . 0.0 111.231 -177.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.71 Favored Pre-proline 0 C--N 1.314 -0.977 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.317 174.706 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.5 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.539 2.159 . . . . 0.0 111.934 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.92 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.51 47.44 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.864 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.32 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 127.258 2.849 . . . . 0.0 110.362 175.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.49 78.95 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.327 -0.858 . . . . 0.0 110.663 177.021 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.47 87.23 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.3 1.04 . . . . 0.0 111.515 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.096 1.498 . . . . 0.0 109.32 178.503 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.01 83.79 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.35 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 117.985 0.357 . . . . 0.0 111.226 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.33 87.09 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 120.363 -1.461 . . . . 0.0 110.797 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.05 -39.43 77.27 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.15 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.531 2.586 . . . . 0.0 109.026 179.477 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.44 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.724 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.34 17.94 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -175.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.081 2.673 . . . . 0.0 113.956 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.36 90.15 Favored Glycine 0 CA--C 1.478 -2.245 0 N-CA-C 118.864 2.305 . . . . 0.0 118.864 176.515 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.9 83.37 Favored Pre-proline 0 C--O 1.243 0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.045 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.572 0 C-N-CA 123.151 2.568 . . . . 0.0 110.913 178.264 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.693 0 C-N-CA 120.675 0.917 . . . . 0.0 113.463 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.789 0 O-C-N 120.01 -1.681 . . . . 0.0 112.224 -177.466 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.46 28.83 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.478 -1.389 . . . . 0.0 112.011 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.304 2.002 . . . . 0.0 115.64 -177.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.295 3.496 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 172.084 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.26 50.98 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.464 1.029 . . . . 0.0 109.988 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.189 1.556 . . . . 0.0 111.904 -177.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.53 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.738 177.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.551 0 C-N-CA 128.328 2.87 . . . . 0.0 117.48 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.694 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.41 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.049 -175.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 125.038 1.461 . . . . 0.0 109.982 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.87 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.834 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.88 85.2 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.328 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.62 17.01 Favored 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.031 -1.864 . . . . 0.0 107.98 176.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.55 11.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.19 79.15 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.187 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.57 70.72 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 117.337 -1.745 . . . . 0.0 112.166 -179.491 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.36 70.51 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.66 51.42 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.01 179.263 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.35 18.29 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 121.541 1.973 . . . . 0.0 111.216 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.148 -2.358 . . . . 0.0 106.182 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.51 8.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.081 2.113 . . . . 0.0 109.515 -176.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -54.7 143.02 26.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.232 1.491 . . . . 0.0 109.284 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 179.496 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.65 52.08 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 175.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.6 19.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.717 -2.564 . . . . 0.0 105.689 174.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.4 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 127.42 2.95 . . . . 0.0 105.864 177.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.472 176.622 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.592 -2.744 . . . . 0.0 103.592 175.1 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.158 0.504 . . . . 0.0 109.832 178.441 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.451 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.599 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.03 32.83 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 118.92 137.09 0.0 OUTLIER 'General case' 0 C--O 1.272 2.245 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.462 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -166.5 -28.85 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.851 1.969 . . . . 0.0 109.861 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -141.35 158.04 44.4 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 113.798 -1.546 . . . . 0.0 108.836 -179.182 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 174.58 33.68 Favored Glycine 0 C--O 1.243 0.675 0 CA-C-N 114.658 -1.155 . . . . 0.0 115.09 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.462 0 CA-C-O 116.407 -2.329 . . . . 0.0 108.391 179.145 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.22 31.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 126.943 2.652 . . . . 0.0 108.901 178.322 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.513 2.705 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.555 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.511 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.505 2.281 1 O-C-N 129.413 4.196 . . . . 0.0 108.008 -178.108 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -7.0 49.89 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.05 0.844 . . . . 0.0 112.602 -177.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.23 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 115.814 -2.354 . . . . 0.0 112.023 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.4 80.4 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.122 -1.611 . . . . 0.0 116.129 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.21 138.09 34.33 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.66 2.475 . . . . 0.0 105.993 176.155 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 127.626 3.079 . . . . 0.0 109.028 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.79 36.62 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.256 178.087 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.98 44.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.158 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.29 44.66 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 129.188 4.055 . . . . 0.0 103.634 173.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.58 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.209 -177.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 112.11 -2.313 . . . . 0.0 106.317 174.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.42 39.59 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 122.59 2.193 . . . . 0.0 111.891 177.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.09 59.11 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.917 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.48 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.378 -1.729 . . . . 0.0 109.826 -179.021 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.42 21.21 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.636 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.186 2.804 . . . . 0.0 110.369 175.746 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.741 176.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.0 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.269 1.028 . . . . 0.0 111.504 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.44 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.043 1.464 . . . . 0.0 109.303 178.488 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.71 -38.03 83.7 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.21 Favored 'General case' 0 C--O 1.278 2.589 0 CA-C-N 118.032 0.378 . . . . 0.0 111.224 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.09 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.432 -1.418 . . . . 0.0 110.785 176.061 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.51 77.5 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.56 79.48 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.559 2.599 . . . . 0.0 108.991 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.73 66.68 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.639 -1.618 . . . . 0.0 111.714 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.48 17.94 Favored 'General case' 0 C--O 1.279 2.648 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -175.591 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.39 8.12 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 123.1 2.682 . . . . 0.0 113.976 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.252 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.489 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.741 -1.183 . . . . 0.0 111.014 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.92 79.55 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.138 2.559 . . . . 0.0 110.908 178.204 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 120.684 0.923 . . . . 0.0 113.416 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.1 -15.65 63.68 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.954 -1.716 . . . . 0.0 112.179 -177.396 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.94 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.532 -1.355 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.289 1.995 . . . . 0.0 115.601 -177.656 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.521 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 172.077 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.3 50.97 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.461 1.028 . . . . 0.0 110.001 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.176 1.547 . . . . 0.0 111.897 -177.483 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 177.504 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.01 19.22 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.764 177.327 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.433 -1.566 0 C-N-CA 128.281 2.848 . . . . 0.0 117.557 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.61 46.4 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.28 34.61 Favored 'General case' 0 C--O 1.258 1.549 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.4 37.44 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.993 -175.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.98 36.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 125.132 1.52 . . . . 0.0 109.954 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.43 Favored 'General case' 0 C--O 1.265 1.919 0 N-CA-C 120.732 3.605 . . . . 0.0 120.732 -175.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.81 85.32 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.363 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.56 17.0 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 119.981 -1.894 . . . . 0.0 107.95 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.045 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.26 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.125 -179.477 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.35 70.61 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.465 1.126 . . . . 0.0 110.741 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.64 51.52 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 117.69 -1.148 . . . . 0.0 113.0 179.243 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.31 18.44 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 121.582 1.992 . . . . 0.0 111.212 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.38 Favored 'Isoleucine or valine' 0 C--O 1.269 2.088 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.203 175.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.08 2.112 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 52.1 tttm -54.76 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.203 1.478 . . . . 0.0 109.277 -176.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.11 10.65 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.05 159.5 34.61 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.688 -2.577 . . . . 0.0 105.695 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.77 46.38 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.488 2.992 . . . . 0.0 105.858 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.82 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.134 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.221 0.534 . . . . 0.0 109.821 178.451 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.599 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.1 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.16 36.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -118.87 135.16 54.71 Favored 'General case' 0 C--O 1.272 2.272 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.509 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -160.86 174.58 13.64 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.801 1.938 . . . . 0.0 109.87 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -148.7 153.26 37.98 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.778 -1.556 . . . . 0.0 108.828 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.14 99.84 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-N 114.657 -1.156 . . . . 0.0 115.084 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 CA-C-O 116.388 -2.34 . . . . 0.0 108.399 179.313 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.23 31.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.968 2.668 . . . . 0.0 108.923 178.341 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.07 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 173.41 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.434 4.834 . . . . 0.0 108.772 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.436 -3.173 . . . . 0.0 105.499 175.819 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.47 41.21 Favored 'General case' 0 N--CA 1.505 2.283 1 O-C-N 129.403 4.19 . . . . 0.0 108.075 -178.18 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.88 49.16 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.09 0.869 . . . . 0.0 112.589 -177.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.46 15.09 29.97 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 115.816 -2.354 . . . . 0.0 111.996 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.56 80.32 Favored Glycine 0 C--N 1.298 -1.573 0 O-C-N 120.175 -1.578 . . . . 0.0 116.076 179.742 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.03 34.49 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 174.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.75 55.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 126.6 2.438 . . . . 0.0 106.032 176.153 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.95 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.616 3.073 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.64 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.215 178.116 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 115.383 -2.246 . . . . 0.0 108.457 -179.213 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.44 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.188 4.055 . . . . 0.0 103.563 174.012 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.163 0 O-C-N 127.678 3.111 . . . . 0.0 111.189 -177.878 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.51 37.68 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.307 174.691 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.948 0 C-N-CA 122.563 2.175 . . . . 0.0 111.957 177.669 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.14 59.14 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.91 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.892 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.38 21.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.33 77.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.254 2.846 . . . . 0.0 110.409 175.75 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.41 78.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.364 -0.835 . . . . 0.0 110.727 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.84 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 111.524 -179.641 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.24 -46.47 88.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 125.065 1.478 . . . . 0.0 109.293 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.82 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.775 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.19 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 117.998 0.363 . . . . 0.0 111.225 176.858 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.46 -1.4 . . . . 0.0 110.813 176.051 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.51 79.59 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.519 2.581 . . . . 0.0 109.003 179.451 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.746 179.165 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.38 17.98 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.701 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.092 2.678 . . . . 0.0 113.95 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.3 90.16 Favored Glycine 0 CA--C 1.477 -2.327 0 N-CA-C 118.915 2.326 . . . . 0.0 118.915 176.538 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.006 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.168 2.579 . . . . 0.0 110.975 178.14 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.69 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.887 0.941 . . . . 0.0 113.398 -179.323 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.895 -1.753 . . . . 0.0 112.245 -177.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 120.48 -1.387 . . . . 0.0 112.06 178.66 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.75 34.78 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 124.291 1.996 . . . . 0.0 115.632 -177.643 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.533 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 172.109 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.27 50.98 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 119.476 1.034 . . . . 0.0 109.974 -177.555 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 125.144 1.527 . . . . 0.0 111.906 -177.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.63 18.89 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 177.481 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.24 -2.255 . . . . 0.0 110.769 177.386 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.04 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 128.386 2.898 . . . . 0.0 117.518 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.66 46.34 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.711 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.55 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 117.757 -1.116 . . . . 0.0 110.042 -175.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.99 36.77 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.051 1.469 . . . . 0.0 109.914 -177.695 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.27 29.24 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.733 3.605 . . . . 0.0 120.733 -175.863 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.9 85.22 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.287 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 119.978 -1.895 . . . . 0.0 107.98 176.558 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.121 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.23 79.32 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.183 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.178 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.34 70.66 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.454 1.121 . . . . 0.0 110.695 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.64 51.45 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.99 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.39 18.32 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 121.577 1.989 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.44 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.163 175.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.153 2.158 . . . . 0.0 109.489 -176.818 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -54.74 143.04 26.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.257 1.503 . . . . 0.0 109.213 -176.909 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.484 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.788 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.72 52.24 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.936 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.63 19.13 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 114.719 -2.563 . . . . 0.0 105.736 174.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.81 46.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.41 2.944 . . . . 0.0 105.858 177.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.618 -1.182 . . . . 0.0 111.521 176.56 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.566 -2.753 . . . . 0.0 103.566 175.118 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.237 0.541 . . . . 0.0 109.815 178.466 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.456 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.577 ' O ' ' H61' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.46 37.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 128.18 158.56 0.0 OUTLIER 'General case' 0 C--O 1.273 2.297 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.521 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -163.3 -103.69 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.827 1.954 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -142.31 158.63 43.51 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.905 -179.394 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 164.87 -167.75 38.76 Favored Glycine 0 C--O 1.243 0.702 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.074 -179.349 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.536 1.393 0 CA-C-O 116.41 -2.328 . . . . 0.0 108.39 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.19 31.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.979 2.674 . . . . 0.0 108.956 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.01 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.353 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.43 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.492 4.87 . . . . 0.0 108.818 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.16 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.502 175.83 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.48 41.15 Favored 'General case' 0 N--CA 1.505 2.311 1 O-C-N 129.447 4.217 . . . . 0.0 108.016 -178.177 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.67 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.047 0.842 . . . . 0.0 112.624 -177.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.04 30.1 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 115.763 -2.375 . . . . 0.0 111.991 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.165 -1.584 . . . . 0.0 116.142 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.624 2.452 . . . . 0.0 106.013 176.154 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.605 3.066 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.75 36.65 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.199 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.03 44.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.373 -2.251 . . . . 0.0 108.45 -179.234 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.984 1 O-C-N 129.189 4.055 . . . . 0.0 103.564 174.025 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.62 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.677 3.111 . . . . 0.0 111.227 -177.906 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.6 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.351 174.671 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.42 39.23 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.576 2.184 . . . . 0.0 111.951 177.72 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.899 -177.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 117.344 -1.742 . . . . 0.0 109.914 -179.078 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.684 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.159 2.787 . . . . 0.0 110.363 175.759 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.38 79.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.316 -0.865 . . . . 0.0 110.704 177.026 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.4 87.0 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.251 1.02 . . . . 0.0 111.56 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.45 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.107 1.504 . . . . 0.0 109.323 178.5 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.92 83.62 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.08 87.29 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.373 -1.454 . . . . 0.0 110.799 176.02 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 125.556 2.598 . . . . 0.0 109.003 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.769 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.38 17.97 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.666 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.102 2.683 . . . . 0.0 113.984 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.44 90.07 Favored Glycine 0 CA--C 1.477 -2.33 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.524 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.028 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.91 79.33 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.134 2.556 . . . . 0.0 110.922 178.228 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.19 92.8 Favored 'Trans proline' 0 C--O 1.262 1.715 0 C-N-CA 120.704 0.936 . . . . 0.0 113.447 -179.366 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.61 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.939 -1.726 . . . . 0.0 112.184 -177.444 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.515 -1.366 . . . . 0.0 112.035 178.694 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.333 2.016 . . . . 0.0 115.602 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.529 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 172.065 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.23 51.0 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.477 1.035 . . . . 0.0 110.017 -177.559 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 O-C-N 125.191 1.557 . . . . 0.0 111.932 -177.509 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.431 -2.062 . . . . 0.0 105.431 177.528 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.97 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.318 -2.219 . . . . 0.0 110.74 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.52 61.02 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 128.376 2.893 . . . . 0.0 117.522 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -114.99 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.722 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.525 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.056 -175.903 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.115 1.509 . . . . 0.0 109.963 -177.725 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.2 29.33 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 120.683 3.586 . . . . 0.0 120.683 -175.79 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -8.79 85.29 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.329 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.044 -1.857 . . . . 0.0 108.017 176.483 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.112 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.25 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.124 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.03 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.178 -179.482 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.34 70.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.461 1.124 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.41 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.95 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 121.548 1.976 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.794 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.089 2.118 . . . . 0.0 109.472 -176.816 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.483 ' HE3' ' H ' ' B' ' 63' ' ' LYS . 49.2 tttm -54.74 143.03 26.56 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.247 1.499 . . . . 0.0 109.216 -176.904 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.797 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.14 126.72 52.28 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 175.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.721 175.048 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.76 46.46 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 127.452 2.97 . . . . 0.0 105.87 177.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.801 0 CA-C-O 117.614 -1.184 . . . . 0.0 111.545 176.566 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.156 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 109.851 178.431 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.577 ' H61' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -130.56 159.47 37.06 Favored 'General case' 0 C--O 1.273 2.293 0 CA-C-O 113.347 -3.216 . . . . 0.0 105.461 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 59.03 144.3 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.86 1.975 . . . . 0.0 109.867 -179.712 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -144.62 -39.61 0.27 Allowed 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.847 -179.45 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.09 -178.13 46.06 Favored Glycine 0 C--O 1.243 0.701 0 CA-C-N 114.665 -1.152 . . . . 0.0 115.09 -179.431 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.375 179.158 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.976 2.672 . . . . 0.0 108.921 178.307 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 173.395 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.14 49.54 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.436 4.835 . . . . 0.0 108.814 179.567 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.19 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.49 175.868 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.51 41.19 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.449 4.218 . . . . 0.0 108.018 -178.16 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.96 49.72 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 124.068 0.855 . . . . 0.0 112.649 -177.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.96 30.34 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.839 -2.344 . . . . 0.0 112.023 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.49 80.29 Favored Glycine 0 C--N 1.297 -1.587 0 O-C-N 120.123 -1.611 . . . . 0.0 116.112 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.05 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 174.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.633 2.458 . . . . 0.0 105.998 176.165 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.95 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 127.589 3.056 . . . . 0.0 109.026 179.67 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.61 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.2 -1.8 . . . . 0.0 108.205 178.132 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 115.368 -2.253 . . . . 0.0 108.462 -179.225 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.42 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.156 4.035 . . . . 0.0 103.569 174.007 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.674 3.109 . . . . 0.0 111.202 -177.877 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.5 37.73 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.15 -2.296 . . . . 0.0 106.304 174.705 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.43 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 122.535 2.156 . . . . 0.0 111.978 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.911 -177.518 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.861 -179.063 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 175.684 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 127.222 2.826 . . . . 0.0 110.372 175.755 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.32 79.12 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.384 -0.823 . . . . 0.0 110.717 176.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.57 -44.44 86.7 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 124.32 1.048 . . . . 0.0 111.499 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.5 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.083 1.49 . . . . 0.0 109.331 178.523 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.95 83.6 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.79 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.622 0 CA-C-N 118.002 0.364 . . . . 0.0 111.223 176.84 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.31 87.03 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.36 -1.462 . . . . 0.0 110.795 176.042 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.54 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.59 79.4 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.02 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.775 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.41 17.95 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -175.663 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.54 -6.41 8.11 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.942 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.38 90.13 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.514 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.82 83.34 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.8 -1.16 . . . . 0.0 111.011 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.87 79.21 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.163 2.575 . . . . 0.0 110.865 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.15 92.64 Favored 'Trans proline' 0 C--O 1.261 1.651 0 C-N-CA 120.706 0.937 . . . . 0.0 113.411 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.62 63.65 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.948 -1.72 . . . . 0.0 112.239 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.48 28.95 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.504 -1.373 . . . . 0.0 112.031 178.704 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.261 1.982 . . . . 0.0 115.67 -177.697 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.91 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.149 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.436 1.016 . . . . 0.0 109.936 -177.509 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.8 72.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.158 1.536 . . . . 0.0 111.841 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.7 19.02 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.296 -2.229 . . . . 0.0 110.764 177.348 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.432 -1.613 0 C-N-CA 128.39 2.9 . . . . 0.0 117.523 -179.469 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.581 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.35 37.45 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.994 -175.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.76 139.98 36.66 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.08 1.487 . . . . 0.0 109.966 -177.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.64 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 -175.796 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.23 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.341 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 120.0 -1.882 . . . . 0.0 107.979 176.538 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.58 11.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.125 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.22 79.33 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.211 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.183 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.28 70.62 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.417 1.103 . . . . 0.0 110.692 179.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.64 51.5 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 117.684 -1.15 . . . . 0.0 112.96 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.31 18.39 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 121.55 1.977 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.47 30.39 Favored 'Isoleucine or valine' 0 C--O 1.267 2.019 0 CA-C-O 115.197 -2.335 . . . . 0.0 106.162 175.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 126.061 2.101 . . . . 0.0 109.515 -176.809 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 18.4 ptpt -54.74 143.03 26.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.158 1.456 . . . . 0.0 109.276 -176.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 179.493 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.811 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.64 52.04 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.67 19.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 114.734 -2.555 . . . . 0.0 105.708 175.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.79 46.43 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 127.411 2.944 . . . . 0.0 105.868 177.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.805 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.495 176.567 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.182 0.515 . . . . 0.0 109.853 178.423 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.407 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.655 ' O ' ' H61' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.62 37.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -111.5 25.11 12.02 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.468 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 47.83 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 O-C-N 125.771 1.919 . . . . 0.0 109.848 -179.766 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -77.41 168.66 19.65 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.817 -1.538 . . . . 0.0 108.844 -179.326 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.08 168.42 37.84 Favored Glycine 0 C--O 1.244 0.731 0 CA-C-N 114.669 -1.15 . . . . 0.0 115.063 -179.382 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.41 -2.328 . . . . 0.0 108.349 179.301 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.904 2.627 . . . . 0.0 108.974 178.241 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 162.97 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 173.416 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.472 4.858 . . . . 0.0 108.78 179.585 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.444 -3.169 . . . . 0.0 105.478 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.48 41.26 Favored 'General case' 0 N--CA 1.505 2.299 1 O-C-N 129.372 4.17 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.78 8.37 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.01 49.94 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 124.011 0.819 . . . . 0.0 112.569 -177.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.804 -2.358 . . . . 0.0 111.975 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.46 80.34 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.124 -1.61 . . . . 0.0 116.099 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.07 34.43 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.575 2.422 . . . . 0.0 106.081 176.147 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 127.547 3.029 . . . . 0.0 109.041 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.79 36.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.245 -1.782 . . . . 0.0 108.217 178.142 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.432 -179.183 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.24 44.53 Favored 'General case' 0 N--CA 1.498 1.967 1 O-C-N 129.161 4.038 . . . . 0.0 103.577 174.007 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 O-C-N 127.752 3.157 . . . . 0.0 111.226 -177.888 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.72 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.333 174.74 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.43 39.36 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.604 2.203 . . . . 0.0 111.902 177.73 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.93 -177.51 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.55 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.9 -179.093 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.43 21.2 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.709 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.25 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 127.213 2.82 . . . . 0.0 110.392 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.698 177.011 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 124.302 1.041 . . . . 0.0 111.49 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 125.055 1.472 . . . . 0.0 109.306 178.523 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.09 87.42 Favored 'General case' 0 C--O 1.28 2.664 0 CA-C-N 117.978 0.353 . . . . 0.0 111.252 176.861 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.39 87.3 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.366 -1.459 . . . . 0.0 110.781 176.013 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.54 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.35 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 125.531 2.586 . . . . 0.0 109.034 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.53 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.771 179.106 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -175.644 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.31 8.1 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 123.145 2.702 . . . . 0.0 113.976 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.44 90.1 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.561 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.8 83.36 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 123.14 2.56 . . . . 0.0 110.908 178.245 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.15 92.83 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.857 0.925 . . . . 0.0 113.449 -179.373 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 120.01 -1.681 . . . . 0.0 112.185 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.45 28.9 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.518 -1.364 . . . . 0.0 112.012 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.311 2.005 . . . . 0.0 115.579 -177.625 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.295 3.476 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.07 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.426 1.012 . . . . 0.0 109.999 -177.572 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.83 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.194 1.559 . . . . 0.0 111.873 -177.456 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.7 19.0 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.543 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.96 19.51 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.266 -2.243 . . . . 0.0 110.778 177.396 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.64 61.08 Favored Glycine 0 N--CA 1.433 -1.554 0 C-N-CA 128.36 2.886 . . . . 0.0 117.51 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.653 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.579 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.39 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.044 -175.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.0 36.78 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.093 1.496 . . . . 0.0 109.943 -177.746 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.16 29.92 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.721 3.601 . . . . 0.0 120.721 -175.868 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.9 85.2 Favored Glycine 0 CA--C 1.492 -1.376 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.301 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.6 17.03 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.017 -1.872 . . . . 0.0 107.976 176.547 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.61 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.166 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.21 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.212 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.049 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.158 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.3 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.437 1.113 . . . . 0.0 110.725 179.775 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.991 179.282 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.39 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 121.549 1.977 . . . . 0.0 111.189 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.32 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.119 -2.372 . . . . 0.0 106.174 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.137 2.148 . . . . 0.0 109.53 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.509 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.77 143.01 26.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 123.234 1.492 . . . . 0.0 109.217 -176.895 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.418 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.48 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.788 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.16 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.63 19.11 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 114.693 -2.575 . . . . 0.0 105.758 174.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.8 46.36 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.37 2.919 . . . . 0.0 105.886 177.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.816 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.535 176.578 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.143 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.181 0.515 . . . . 0.0 109.822 178.468 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.655 ' H61' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.562 ' HA ' ' H2 ' ' A' ' 102' ' ' MTN . 4.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.557 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.14 35.56 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -121.79 78.42 1.46 Allowed 'General case' 0 C--O 1.271 2.236 0 CA-C-O 113.421 -3.18 . . . . 0.0 105.522 -179.731 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -48.38 153.01 0.8 Allowed 'General case' 0 C--N 1.293 -1.878 0 O-C-N 125.791 1.932 . . . . 0.0 109.826 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -144.94 161.78 38.51 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 113.763 -1.562 . . . . 0.0 108.84 -179.579 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 147.68 127.26 1.71 Allowed Glycine 0 C--O 1.244 0.738 0 CA-C-N 114.63 -1.168 . . . . 0.0 115.091 -179.473 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.398 -2.334 . . . . 0.0 108.377 179.154 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.21 31.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 127.002 2.689 . . . . 0.0 108.911 178.35 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.439 4.837 . . . . 0.0 108.772 179.615 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.449 175.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.5 41.22 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.418 4.198 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.93 49.45 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.082 0.864 . . . . 0.0 112.606 -177.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.79 -2.364 . . . . 0.0 111.96 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.134 -1.604 . . . . 0.0 116.111 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.08 34.39 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.934 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.82 55.34 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 126.591 2.432 . . . . 0.0 106.052 176.154 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.567 3.042 . . . . 0.0 109.048 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.273 -1.771 . . . . 0.0 108.24 178.136 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.22 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.482 -179.247 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.215 4.072 . . . . 0.0 103.564 174.001 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.198 0 O-C-N 127.658 3.099 . . . . 0.0 111.243 -177.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.53 37.67 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.354 174.696 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.548 2.165 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.875 -177.511 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.822 -178.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.46 21.2 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 175.674 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.27 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.207 2.817 . . . . 0.0 110.383 175.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.39 79.13 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.379 -0.826 . . . . 0.0 110.74 176.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.42 87.09 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.338 1.055 . . . . 0.0 111.547 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 125.017 1.448 . . . . 0.0 109.332 178.525 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.89 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.772 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.28 Favored 'General case' 0 C--O 1.278 2.593 0 CA-C-N 118.029 0.377 . . . . 0.0 111.227 176.86 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.28 86.93 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 120.403 -1.436 . . . . 0.0 110.818 176.039 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.55 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.67 79.06 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.537 2.589 . . . . 0.0 109.005 179.487 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.73 66.33 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.727 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.42 17.92 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.66 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 123.139 2.699 . . . . 0.0 113.965 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.511 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.021 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.567 0 C-N-CA 123.186 2.591 . . . . 0.0 110.933 178.242 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.76 Favored 'Trans proline' 0 C--O 1.263 1.73 0 C-N-CA 120.67 0.914 . . . . 0.0 113.432 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.969 -1.707 . . . . 0.0 112.204 -177.455 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.43 28.87 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.448 -1.407 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 124.32 2.01 . . . . 0.0 115.681 -177.691 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.91 23.88 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.151 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.404 1.002 . . . . 0.0 109.987 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 O-C-N 125.174 1.546 . . . . 0.0 111.872 -177.46 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.74 19.0 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.552 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.97 19.46 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.265 -2.243 . . . . 0.0 110.782 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.406 2.908 . . . . 0.0 117.515 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.72 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.594 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.512 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.704 -1.141 . . . . 0.0 110.049 -175.909 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 140.02 36.66 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 125.113 1.508 . . . . 0.0 109.964 -177.751 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.22 30.17 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.825 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.965 -1.903 . . . . 0.0 108.035 176.484 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.178 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.131 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.186 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.467 1.127 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.942 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.31 18.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.554 1.979 . . . . 0.0 111.182 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.14 -2.362 . . . . 0.0 106.175 175.841 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.091 2.12 . . . . 0.0 109.476 -176.784 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.48 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 20.9 pttp -54.77 143.0 26.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 123.222 1.487 . . . . 0.0 109.237 -176.907 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.19 10.64 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.455 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.54 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.742 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.72 52.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.005 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.65 19.11 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.735 174.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.409 2.943 . . . . 0.0 105.866 177.921 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.634 -1.174 . . . . 0.0 111.505 176.54 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.078 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.159 0.504 . . . . 0.0 109.829 178.451 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.562 ' H2 ' ' HA ' ' A' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.541 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 136.04 37.03 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . -128.76 157.07 42.48 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 113.425 -3.178 . . . . 0.0 105.513 177.777 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 70.86 141.6 0.05 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.773 1.92 . . . . 0.0 109.804 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -148.15 -44.16 0.16 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.882 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.34 -166.76 41.45 Favored Glycine 0 C--O 1.243 0.67 0 CA-C-N 114.635 -1.166 . . . . 0.0 115.107 -179.442 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 CA-C-O 116.407 -2.33 . . . . 0.0 108.339 179.226 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.946 2.654 . . . . 0.0 108.932 178.348 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.427 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.635 1 O-C-N 130.456 4.848 . . . . 0.0 108.767 179.581 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.507 175.836 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.47 41.18 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.44 4.212 . . . . 0.0 108.09 -178.166 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.856 -1.069 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.99 49.84 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.016 0.822 . . . . 0.0 112.567 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.96 30.33 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.781 -2.368 . . . . 0.0 112.016 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.611 0 O-C-N 120.126 -1.609 . . . . 0.0 116.163 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.41 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 175.054 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.74 55.31 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 126.636 2.46 . . . . 0.0 106.019 176.121 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.043 . . . . 0.0 109.062 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.75 36.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.261 -1.776 . . . . 0.0 108.226 178.147 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.347 -2.263 . . . . 0.0 108.476 -179.213 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.192 4.057 . . . . 0.0 103.622 173.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.717 3.135 . . . . 0.0 111.231 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.44 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.581 2.187 . . . . 0.0 111.919 177.74 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.15 59.13 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.876 -177.497 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.55 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.323 -1.751 . . . . 0.0 109.903 -179.063 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 175.714 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.191 2.807 . . . . 0.0 110.364 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.43 78.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 176.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.51 86.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.323 1.049 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 125.049 1.468 . . . . 0.0 109.288 178.509 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.96 83.92 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.98 87.07 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-N 118.015 0.37 . . . . 0.0 111.269 176.838 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.35 87.2 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 120.346 -1.471 . . . . 0.0 110.782 175.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.48 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.63 79.21 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 125.541 2.591 . . . . 0.0 109.007 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.754 179.127 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.668 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -175.653 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.126 2.694 . . . . 0.0 113.971 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.46 90.06 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.877 2.311 . . . . 0.0 118.877 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.244 0.784 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.038 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.91 79.56 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.173 2.582 . . . . 0.0 110.923 178.212 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.675 0 O-C-N 122.878 0.936 . . . . 0.0 113.426 -179.363 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.213 -177.429 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.546 -1.346 . . . . 0.0 112.013 178.696 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 124.305 2.002 . . . . 0.0 115.609 -177.649 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.97 24.01 Favored 'General case' 0 C--O 1.295 3.482 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.484 1.038 . . . . 0.0 109.978 -177.555 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.18 1.55 . . . . 0.0 111.892 -177.489 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.93 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.523 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.31 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.761 177.403 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.384 2.897 . . . . 0.0 117.519 -179.482 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.59 46.44 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.724 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.771 -2.678 . . . . 0.0 103.771 174.574 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.034 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.03 36.65 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.005 1.44 . . . . 0.0 109.966 -177.722 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.23 30.36 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.631 3.567 . . . . 0.0 120.631 -175.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.27 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 -177.311 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 119.985 -1.891 . . . . 0.0 108.025 176.49 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.16 79.22 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.166 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.64 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.161 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.53 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.455 1.121 . . . . 0.0 110.686 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.71 51.34 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.686 -1.15 . . . . 0.0 112.996 179.258 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.4 18.53 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.563 1.983 . . . . 0.0 111.192 179.808 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.34 30.18 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-O 115.118 -2.372 . . . . 0.0 106.134 175.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 126.148 2.155 . . . . 0.0 109.544 -176.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -54.78 143.06 26.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.216 1.484 . . . . 0.0 109.252 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.473 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.52 34.58 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.844 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.7 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.59 19.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.729 -2.558 . . . . 0.0 105.734 175.017 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.72 46.49 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.398 2.936 . . . . 0.0 105.855 177.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.86 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.537 176.555 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.537 -2.764 . . . . 0.0 103.537 175.191 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.181 0.515 . . . . 0.0 109.827 178.442 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.541 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.761 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.61 37.61 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -143.1 107.93 4.89 Favored 'General case' 0 C--O 1.272 2.283 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.489 -179.607 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -77.81 137.47 38.44 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.782 1.926 . . . . 0.0 109.819 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -91.05 -2.36 57.65 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.793 -1.549 . . . . 0.0 108.863 -179.272 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.61 160.62 53.75 Favored Glycine 0 C--O 1.243 0.716 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.084 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.451 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.378 179.233 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.3 31.71 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 126.928 2.642 . . . . 0.0 108.906 178.282 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.19 163.01 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.367 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.14 49.53 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.469 4.856 . . . . 0.0 108.762 179.561 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.541 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.368 4.168 . . . . 0.0 108.057 -178.153 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.7 8.41 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.829 -1.081 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.42 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.023 0.827 . . . . 0.0 112.617 -177.957 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.153 0 C-N-CA 115.804 -2.358 . . . . 0.0 112.009 179.901 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.43 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.126 -1.609 . . . . 0.0 116.089 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.591 2.432 . . . . 0.0 105.992 176.176 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.586 3.053 . . . . 0.0 109.05 179.663 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.296 -1.762 . . . . 0.0 108.242 178.134 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.09 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.355 -2.26 . . . . 0.0 108.452 -179.174 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.23 44.47 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.186 4.054 . . . . 0.0 103.618 173.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.59 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.678 3.111 . . . . 0.0 111.223 -177.894 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.89 144.51 37.54 Favored Pre-proline 0 C--N 1.314 -0.973 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.331 174.704 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.49 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 122.56 2.174 . . . . 0.0 111.916 177.721 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.925 -177.543 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.51 47.47 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.873 -179.014 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.41 21.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.727 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.27 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.129 2.768 . . . . 0.0 110.41 175.751 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.5 79.08 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.865 . . . . 0.0 110.751 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.44 -44.44 87.31 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.314 1.046 . . . . 0.0 111.5 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.43 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.039 1.462 . . . . 0.0 109.319 178.503 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.97 83.74 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.751 -179.712 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.98 86.98 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 117.969 0.349 . . . . 0.0 111.237 176.869 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.28 86.95 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 120.341 -1.474 . . . . 0.0 110.804 176.029 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 125.498 2.57 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.74 66.59 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.709 179.142 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.692 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 -175.671 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.133 2.697 . . . . 0.0 113.954 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.4 90.1 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.521 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.86 83.22 Favored Pre-proline 0 C--O 1.243 0.728 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.003 179.714 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.87 79.12 Favored 'Trans proline' 0 C--O 1.259 1.557 0 C-N-CA 123.126 2.55 . . . . 0.0 110.933 178.214 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.63 Favored 'Trans proline' 0 C--O 1.261 1.668 0 C-N-CA 120.693 0.929 . . . . 0.0 113.433 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.62 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.957 -1.714 . . . . 0.0 112.217 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.47 28.87 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.527 -1.358 . . . . 0.0 112.005 178.743 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.311 2.005 . . . . 0.0 115.633 -177.674 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.95 23.96 Favored 'General case' 0 C--O 1.296 3.528 0 N-CA-C 104.872 -2.269 . . . . 0.0 104.872 172.133 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.456 1.025 . . . . 0.0 110.036 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.132 1.52 . . . . 0.0 111.867 -177.422 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.7 18.9 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.276 -2.238 . . . . 0.0 110.773 177.384 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.11 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 128.329 2.871 . . . . 0.0 117.486 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.69 46.3 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.26 34.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 174.521 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.36 37.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.015 -175.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.7 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.01 1.444 . . . . 0.0 109.986 -177.781 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.17 29.98 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.711 3.596 . . . . 0.0 120.711 -175.81 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.8 85.3 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.068 1.187 . . . . 0.0 116.068 -177.339 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.55 17.01 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.025 -1.868 . . . . 0.0 107.998 176.49 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.63 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.16 79.17 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.155 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.182 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.55 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.432 1.11 . . . . 0.0 110.698 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.994 179.294 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.33 18.41 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.568 1.986 . . . . 0.0 111.237 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.158 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 126.126 2.141 . . . . 0.0 109.512 -176.845 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 39.7 ttmt -54.81 143.09 26.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.204 1.478 . . . . 0.0 109.245 -176.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.22 10.68 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.79 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.003 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.462 2.976 . . . . 0.0 105.875 177.951 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.533 176.581 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.94 28.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 175.146 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.152 0.501 . . . . 0.0 109.851 178.421 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.761 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.01 41.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 141.01 160.56 0.0 OUTLIER 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.339 -3.22 . . . . 0.0 105.523 -178.697 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -167.56 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 O-C-N 125.85 1.969 . . . . 0.0 109.829 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -139.77 121.72 15.6 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.86 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.43 -171.67 45.33 Favored Glycine 0 C--O 1.243 0.682 0 CA-C-N 114.656 -1.156 . . . . 0.0 115.08 -179.439 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.381 -2.344 . . . . 0.0 108.409 179.15 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.957 2.66 . . . . 0.0 108.95 178.282 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.376 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.17 49.51 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.5 4.875 . . . . 0.0 108.781 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.438 -3.172 . . . . 0.0 105.529 175.812 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.21 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 129.382 4.176 . . . . 0.0 108.011 -178.131 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -7.01 49.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.036 0.835 . . . . 0.0 112.607 -177.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.846 -2.342 . . . . 0.0 111.987 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.52 80.26 Favored Glycine 0 C--N 1.297 -1.586 0 O-C-N 120.127 -1.608 . . . . 0.0 116.166 179.764 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.1 34.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 175.001 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.634 2.459 . . . . 0.0 106.05 176.136 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.01 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 127.637 3.086 . . . . 0.0 109.027 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.227 178.135 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.97 44.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.447 -179.169 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.192 4.058 . . . . 0.0 103.616 173.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.62 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.669 3.106 . . . . 0.0 111.231 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.47 37.58 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.131 -2.304 . . . . 0.0 106.295 174.714 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.85 -24.47 38.75 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.549 2.166 . . . . 0.0 111.93 177.72 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.897 -179.04 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.4 21.25 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.745 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.3 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.164 2.79 . . . . 0.0 110.357 175.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.39 78.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.342 -0.849 . . . . 0.0 110.739 177.014 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.326 1.05 . . . . 0.0 111.493 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.49 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.068 1.48 . . . . 0.0 109.347 178.514 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.74 -38.01 83.71 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.99 86.97 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.005 0.366 . . . . 0.0 111.183 176.9 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.29 86.97 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.409 -1.432 . . . . 0.0 110.833 176.005 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.46 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.56 79.48 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.573 2.606 . . . . 0.0 109.056 179.417 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.75 66.47 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.74 179.127 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.45 17.96 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 -175.676 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.27 8.1 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.105 2.684 . . . . 0.0 113.975 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.306 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.543 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.9 79.4 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.159 2.573 . . . . 0.0 110.903 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.14 92.63 Favored 'Trans proline' 0 C--O 1.262 1.683 0 C-N-CA 120.692 0.928 . . . . 0.0 113.44 -179.388 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 119.986 -1.696 . . . . 0.0 112.201 -177.472 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.79 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.522 -1.361 . . . . 0.0 112.06 178.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.319 2.009 . . . . 0.0 115.584 -177.62 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.91 23.86 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.11 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.95 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 119.465 1.029 . . . . 0.0 109.961 -177.546 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 O-C-N 125.144 1.527 . . . . 0.0 111.894 -177.468 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.67 18.98 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.477 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.782 177.383 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.341 2.877 . . . . 0.0 117.474 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.706 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.535 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.017 -175.88 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 125.059 1.475 . . . . 0.0 109.955 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.18 30.43 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.824 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.97 85.17 Favored Glycine 0 CA--C 1.492 -1.387 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.59 17.07 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 119.999 -1.883 . . . . 0.0 108.005 176.511 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.64 11.61 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.112 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.21 79.37 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.132 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.152 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.24 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.505 1.145 . . . . 0.0 110.739 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.69 51.43 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.979 179.259 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.6 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.534 1.97 . . . . 0.0 111.189 179.832 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.153 -2.356 . . . . 0.0 106.211 175.777 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.047 2.092 . . . . 0.0 109.545 -176.851 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.447 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.73 143.0 26.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.175 1.464 . . . . 0.0 109.281 -176.908 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.62 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.489 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.04 159.54 34.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 174.805 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.73 52.22 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.63 19.12 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.714 174.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.72 46.5 Favored 'General case' 0 C--N 1.286 -2.157 0 O-C-N 127.406 2.941 . . . . 0.0 105.891 177.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.827 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.509 176.584 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 175.142 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.134 0.493 . . . . 0.0 109.838 178.455 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.454 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.91 34.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' C ' ' N ' ' A' ' 74' ' ' ARG . . . -131.02 155.72 46.37 Favored 'General case' 0 C--O 1.272 2.243 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.468 -176.338 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -160.82 141.5 11.51 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 125.823 1.952 . . . . 0.0 109.831 179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' C ' ' A' ' 72' ' ' ARG . . . -93.82 144.34 25.52 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.865 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 1.2 88.64 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 114.658 -1.156 . . . . 0.0 115.095 -179.502 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.358 179.27 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 126.985 2.678 . . . . 0.0 108.92 178.322 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.38 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.446 4.841 . . . . 0.0 108.794 179.585 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.15 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.537 175.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.48 41.19 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.052 -178.178 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.75 8.39 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.68 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.068 0.855 . . . . 0.0 112.568 -177.904 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.975 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.46 80.33 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.122 -1.611 . . . . 0.0 116.136 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 174.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.586 2.429 . . . . 0.0 105.998 176.167 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 127.555 3.034 . . . . 0.0 109.048 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.77 36.6 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.209 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.381 -2.247 . . . . 0.0 108.413 -179.166 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.026 1 O-C-N 129.251 4.094 . . . . 0.0 103.577 173.974 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 O-C-N 127.706 3.129 . . . . 0.0 111.261 -177.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.52 37.74 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 112.194 -2.276 . . . . 0.0 106.327 174.701 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.46 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 122.522 2.148 . . . . 0.0 111.954 177.722 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.17 59.13 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.53 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.861 -179.048 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.4 21.19 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 175.727 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.24 77.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.168 2.792 . . . . 0.0 110.362 175.799 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.47 79.22 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.406 -0.809 . . . . 0.0 110.731 176.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.06 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 124.342 1.057 . . . . 0.0 111.507 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.28 -46.5 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.016 1.448 . . . . 0.0 109.282 178.513 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.73 -38.0 83.64 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.2 Favored 'General case' 0 C--O 1.279 2.623 0 CA-C-N 117.965 0.348 . . . . 0.0 111.215 176.857 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.38 87.25 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.435 -1.415 . . . . 0.0 110.861 175.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.879 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.34 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.511 2.577 . . . . 0.0 109.011 179.46 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.7 66.53 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.705 -1.588 . . . . 0.0 111.735 179.104 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 123.138 2.699 . . . . 0.0 113.957 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.37 90.11 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.873 2.309 . . . . 0.0 118.873 176.567 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.741 0 C-N-CA 118.835 -1.146 . . . . 0.0 111.005 179.678 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.92 79.48 Favored 'Trans proline' 0 C--O 1.259 1.558 0 C-N-CA 123.155 2.57 . . . . 0.0 110.935 178.183 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.262 1.708 0 C-N-CA 120.699 0.933 . . . . 0.0 113.422 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.59 63.64 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 119.931 -1.731 . . . . 0.0 112.22 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.45 28.93 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 120.505 -1.372 . . . . 0.0 112.084 178.691 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.313 2.006 . . . . 0.0 115.636 -177.656 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.92 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 172.109 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.465 1.03 . . . . 0.0 109.986 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 O-C-N 125.105 1.503 . . . . 0.0 111.892 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.68 18.87 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.03 19.25 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.239 -2.255 . . . . 0.0 110.779 177.346 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 61.0 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.318 2.866 . . . . 0.0 117.529 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.725 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 174.553 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.028 -175.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.91 139.99 36.81 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 125.111 1.507 . . . . 0.0 109.977 -177.751 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.12 Favored 'General case' 0 C--O 1.266 1.926 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.83 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.95 85.16 Favored Glycine 0 CA--C 1.492 -1.381 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -177.341 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 119.997 -1.884 . . . . 0.0 108.015 176.538 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.089 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.34 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.22 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.56 70.73 Favored 'General case' 0 C--O 1.269 2.103 0 C-N-CA 117.295 -1.762 . . . . 0.0 112.134 -179.473 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.33 70.6 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.453 1.121 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.708 -1.139 . . . . 0.0 112.993 179.283 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.36 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.548 1.976 . . . . 0.0 111.229 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.39 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.026 0 CA-C-O 115.112 -2.375 . . . . 0.0 106.176 175.816 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.099 2.124 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.5 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 64.1 pttt -54.74 143.02 26.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.224 1.488 . . . . 0.0 109.255 -176.9 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.07 10.59 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 179.463 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.812 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.12 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 175.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.723 175.012 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.79 46.38 Favored 'General case' 0 C--N 1.285 -2.199 0 O-C-N 127.446 2.966 . . . . 0.0 105.904 177.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.11 115.83 30.86 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.545 176.612 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.97 28.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.176 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.402 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.437 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.499 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 141.81 29.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 86.55 141.36 0.05 Allowed 'General case' 0 C--O 1.272 2.264 0 CA-C-O 113.423 -3.179 . . . . 0.0 105.479 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . -161.29 -10.2 0.04 OUTLIER 'General case' 0 C--N 1.293 -1.887 0 O-C-N 125.79 1.931 . . . . 0.0 109.819 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' H ' ' H ' ' A' ' 73' ' ' LEU . . . -149.97 159.94 44.0 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.854 -179.119 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.43 -155.14 31.47 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 114.648 -1.16 . . . . 0.0 115.068 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.364 -2.353 . . . . 0.0 108.34 179.236 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.968 2.667 . . . . 0.0 108.917 178.343 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.408 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.483 4.864 . . . . 0.0 108.802 179.545 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.521 175.816 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.47 41.19 Favored 'General case' 0 N--CA 1.504 2.233 1 O-C-N 129.368 4.168 . . . . 0.0 108.089 -178.178 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.354 179.915 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.66 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.019 0.825 . . . . 0.0 112.595 -177.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.27 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 115.815 -2.354 . . . . 0.0 112.03 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.36 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.069 -1.644 . . . . 0.0 116.114 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.43 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.73 55.34 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.583 2.427 . . . . 0.0 106.037 176.135 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 127.572 3.045 . . . . 0.0 109.052 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.77 36.67 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.228 -1.789 . . . . 0.0 108.253 178.09 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.01 44.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.335 -2.269 . . . . 0.0 108.428 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.56 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.221 4.076 . . . . 0.0 103.554 173.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 O-C-N 127.669 3.106 . . . . 0.0 111.188 -177.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.321 174.699 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.4 39.12 Favored 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 122.58 2.187 . . . . 0.0 111.956 177.718 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.15 59.15 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.52 47.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.843 -179.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.43 21.23 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.23 2.831 . . . . 0.0 110.339 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.46 79.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.383 -0.823 . . . . 0.0 110.754 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.04 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.262 1.025 . . . . 0.0 111.533 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.46 89.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 125.065 1.478 . . . . 0.0 109.288 178.504 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.78 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.99 0.359 . . . . 0.0 111.226 176.879 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 120.377 -1.452 . . . . 0.0 110.774 176.019 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.42 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 125.508 2.575 . . . . 0.0 109.008 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.53 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.43 17.93 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.629 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 123.112 2.687 . . . . 0.0 113.957 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.32 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.9 83.45 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.019 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.93 79.65 Favored 'Trans proline' 0 C--O 1.26 1.594 0 C-N-CA 123.139 2.559 . . . . 0.0 110.933 178.227 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.65 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.863 0.928 . . . . 0.0 113.427 -179.358 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 119.925 -1.735 . . . . 0.0 112.251 -177.46 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.79 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.474 -1.392 . . . . 0.0 112.027 178.72 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.7 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.323 2.011 . . . . 0.0 115.648 -177.665 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.95 23.93 Favored 'General case' 0 C--O 1.296 3.505 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.086 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.439 1.018 . . . . 0.0 109.952 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 125.183 1.552 . . . . 0.0 111.856 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.513 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.807 177.372 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.51 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.364 2.888 . . . . 0.0 117.496 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.736 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 103.792 -2.67 . . . . 0.0 103.792 174.538 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.35 37.46 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.02 -175.863 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.01 36.68 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.13 1.519 . . . . 0.0 109.973 -177.722 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.833 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.492 -1.393 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 -177.343 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.55 17.05 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 119.941 -1.917 . . . . 0.0 107.975 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.56 11.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.13 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.23 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.171 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.298 -1.761 . . . . 0.0 112.188 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.28 70.59 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.492 1.139 . . . . 0.0 110.718 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.955 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.41 18.54 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 121.58 1.991 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.72 116.45 30.4 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.103 -2.379 . . . . 0.0 106.164 175.858 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.129 2.143 . . . . 0.0 109.531 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 23.1 pttp -54.74 143.0 26.67 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.233 1.492 . . . . 0.0 109.282 -176.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.442 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.777 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.15 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.278 -0.867 . . . . 0.0 108.665 175.955 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.23 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 114.686 -2.578 . . . . 0.0 105.702 175.02 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.73 46.52 Favored 'General case' 0 C--N 1.285 -2.216 0 O-C-N 127.455 2.972 . . . . 0.0 105.856 177.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.88 30.95 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.678 -1.154 . . . . 0.0 111.519 176.576 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.88 28.79 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.122 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.198 0.523 . . . . 0.0 109.821 178.435 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.499 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.453 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.61 34.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 74' ' ' ARG . . . -140.79 112.68 7.67 Favored 'General case' 0 C--O 1.272 2.285 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -76.36 122.96 25.22 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 125.767 1.917 . . . . 0.0 109.809 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 72' ' ' ARG . . . -65.8 -40.2 91.66 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.778 -1.556 . . . . 0.0 108.871 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -66.05 156.75 49.61 Favored Glycine 0 C--O 1.243 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 115.061 -179.316 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.371 -2.35 . . . . 0.0 108.384 179.411 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.978 2.673 . . . . 0.0 108.93 178.319 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.397 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.472 4.857 . . . . 0.0 108.79 179.555 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.24 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 113.37 -3.205 . . . . 0.0 105.522 175.799 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.19 127.53 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.431 4.207 . . . . 0.0 108.028 -178.162 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.92 49.49 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.02 0.825 . . . . 0.0 112.61 -177.964 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.9 30.51 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.792 -2.363 . . . . 0.0 111.996 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.126 -1.609 . . . . 0.0 116.146 179.725 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.03 34.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 175.047 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.78 55.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.576 2.422 . . . . 0.0 106.005 176.182 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.95 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 127.559 3.037 . . . . 0.0 109.063 179.626 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.85 36.54 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 117.285 -1.766 . . . . 0.0 108.216 178.116 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.08 44.23 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.446 -179.192 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.91 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.993 1 O-C-N 129.185 4.053 . . . . 0.0 103.575 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.655 3.097 . . . . 0.0 111.235 -177.899 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.47 37.54 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.359 174.721 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.49 39.17 Favored 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 122.564 2.176 . . . . 0.0 111.933 177.715 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.11 59.11 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.907 -177.505 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.1 148.52 47.39 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.376 -1.73 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.726 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.179 2.799 . . . . 0.0 110.373 175.765 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.47 79.0 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.4 -0.812 . . . . 0.0 110.707 176.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.44 87.01 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 124.323 1.049 . . . . 0.0 111.511 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.056 1.473 . . . . 0.0 109.305 178.532 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.99 84.01 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.28 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 118.027 0.376 . . . . 0.0 111.217 176.847 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.1 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.396 -1.44 . . . . 0.0 110.852 175.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.48 77.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.539 2.59 . . . . 0.0 108.991 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.767 179.118 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.629 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.41 8.09 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.121 2.692 . . . . 0.0 113.975 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.41 90.08 Favored Glycine 0 CA--C 1.478 -2.247 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.026 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.176 2.584 . . . . 0.0 110.904 178.198 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.77 Favored 'Trans proline' 0 C--O 1.262 1.686 0 C-N-CA 120.683 0.922 . . . . 0.0 113.399 -179.365 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 119.99 -1.694 . . . . 0.0 112.211 -177.436 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.92 -10.41 28.84 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.559 -1.338 . . . . 0.0 112.001 178.695 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 124.289 1.995 . . . . 0.0 115.675 -177.678 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.94 23.95 Favored 'General case' 0 C--O 1.297 3.573 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 172.137 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.94 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.479 1.036 . . . . 0.0 109.994 -177.524 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.184 1.552 . . . . 0.0 111.892 -177.471 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 177.536 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.0 19.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.771 177.367 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.64 61.0 Favored Glycine 0 N--CA 1.433 -1.563 0 C-N-CA 128.333 2.873 . . . . 0.0 117.509 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.6 46.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.699 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.37 37.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 117.749 -1.12 . . . . 0.0 110.021 -175.905 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.01 36.71 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 125.047 1.467 . . . . 0.0 109.982 -177.79 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.55 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.82 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.27 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 116.079 1.192 . . . . 0.0 116.079 -177.315 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.03 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 119.984 -1.892 . . . . 0.0 107.997 176.514 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.57 11.65 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.1 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.26 79.29 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.156 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.048 0 C-N-CA 117.306 -1.758 . . . . 0.0 112.147 -179.517 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.454 1.121 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.61 51.63 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.014 179.268 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.518 1.963 . . . . 0.0 111.178 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.41 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.164 175.822 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.079 2.112 . . . . 0.0 109.528 -176.868 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 17.1 pttp -54.75 143.07 26.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.211 1.481 . . . . 0.0 109.255 -176.891 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.49 34.59 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.797 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.972 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.58 19.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.714 175.045 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.36 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.412 2.945 . . . . 0.0 105.853 177.956 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.783 0 CA-C-O 117.657 -1.163 . . . . 0.0 111.506 176.574 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 175.115 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.216 0.532 . . . . 0.0 109.783 178.472 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.16 38.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -157.65 132.16 8.43 Favored 'General case' 0 C--O 1.272 2.288 0 CA-C-O 113.375 -3.203 . . . . 0.0 105.526 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -72.69 160.16 32.67 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 125.79 1.931 . . . . 0.0 109.835 -179.563 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -142.39 -1.81 1.15 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.87 -179.464 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -61.09 -40.81 99.04 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 114.698 -1.137 . . . . 0.0 115.093 -179.503 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.408 -2.329 . . . . 0.0 108.356 179.195 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 126.954 2.659 . . . . 0.0 108.931 178.312 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.382 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.432 4.833 . . . . 0.0 108.777 179.566 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.18 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 113.349 -3.215 . . . . 0.0 105.485 175.806 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.48 41.18 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.476 4.235 . . . . 0.0 108.076 -178.195 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.94 49.53 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.978 0.799 . . . . 0.0 112.611 -177.936 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.06 30.04 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.829 -2.348 . . . . 0.0 111.974 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.149 -1.594 . . . . 0.0 116.137 179.745 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.03 34.45 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.56 2.413 . . . . 0.0 106.009 176.143 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.04 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 127.571 3.045 . . . . 0.0 109.05 179.677 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.213 178.139 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.425 -179.219 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.23 44.52 Favored 'General case' 0 N--CA 1.5 2.029 1 O-C-N 129.256 4.097 . . . . 0.0 103.558 174.003 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.681 3.113 . . . . 0.0 111.219 -177.879 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.15 -2.295 . . . . 0.0 106.323 174.732 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.48 39.36 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 122.518 2.145 . . . . 0.0 112.007 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.872 -177.519 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.54 47.38 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.85 -179.058 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.24 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 O-C-N 127.157 2.786 . . . . 0.0 110.365 175.799 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.45 79.21 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.41 -0.807 . . . . 0.0 110.712 177.013 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.07 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.351 1.06 . . . . 0.0 111.484 -179.641 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.46 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.073 1.483 . . . . 0.0 109.276 178.561 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -37.99 83.68 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.601 0 CA-C-N 118.011 0.369 . . . . 0.0 111.243 176.836 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.32 87.06 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.429 -1.419 . . . . 0.0 110.794 176.019 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.5 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.57 79.43 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.465 2.555 . . . . 0.0 109.012 179.458 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.75 66.65 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.765 179.109 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.41 17.99 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.629 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.121 2.691 . . . . 0.0 113.917 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.41 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.869 2.308 . . . . 0.0 118.869 176.546 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.005 179.718 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.185 2.59 . . . . 0.0 110.895 178.221 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.716 0 C-N-CA 120.673 0.915 . . . . 0.0 113.421 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.96 -1.713 . . . . 0.0 112.217 -177.461 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.49 -1.381 . . . . 0.0 112.045 178.671 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.68 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.349 2.023 . . . . 0.0 115.633 -177.71 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.89 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.087 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.459 1.027 . . . . 0.0 109.973 -177.543 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.139 1.525 . . . . 0.0 111.867 -177.47 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.95 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.516 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.194 -2.275 . . . . 0.0 110.777 177.394 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.38 2.895 . . . . 0.0 117.504 -179.471 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.63 46.37 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.694 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 174.601 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.015 -175.905 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.04 36.68 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.019 1.449 . . . . 0.0 109.968 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.98 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 120.735 3.605 . . . . 0.0 120.735 -175.834 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 116.147 1.219 . . . . 0.0 116.147 -177.414 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.6 16.99 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 120.023 -1.869 . . . . 0.0 107.991 176.497 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.1 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.28 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.196 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.181 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.31 70.43 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.435 1.112 . . . . 0.0 110.733 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.67 51.48 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 117.676 -1.155 . . . . 0.0 113.006 179.299 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.37 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 121.544 1.974 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.18 -2.343 . . . . 0.0 106.185 175.788 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.56 8.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.043 2.09 . . . . 0.0 109.5 -176.834 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.433 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 14.2 mttp -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.195 1.474 . . . . 0.0 109.306 -176.956 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.14 10.59 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.814 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.972 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.74 174.985 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.285 -2.233 0 O-C-N 127.391 2.932 . . . . 0.0 105.882 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.86 30.92 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.532 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.97 28.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 175.165 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.204 0.526 . . . . 0.0 109.845 178.433 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.502 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.12 36.93 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -130.0 162.93 27.58 Favored 'General case' 0 C--O 1.272 2.249 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.472 178.523 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 59.38 148.82 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.876 0 O-C-N 125.779 1.924 . . . . 0.0 109.869 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 75' ' ' GLY . . . -153.05 -16.24 0.15 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.826 -179.438 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . -168.41 171.79 42.73 Favored Glycine 0 C--O 1.243 0.689 0 CA-C-N 114.697 -1.138 . . . . 0.0 115.051 -179.261 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 CA-C-O 116.391 -2.339 . . . . 0.0 108.345 179.383 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 126.991 2.682 . . . . 0.0 108.938 178.355 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.433 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.15 49.54 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.477 4.861 . . . . 0.0 108.784 179.555 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.427 -3.178 . . . . 0.0 105.519 175.825 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.24 Favored 'General case' 0 N--CA 1.505 2.32 1 O-C-N 129.406 4.191 . . . . 0.0 108.043 -178.145 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.91 49.35 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.062 0.851 . . . . 0.0 112.582 -177.921 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.828 -2.349 . . . . 0.0 112.023 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.45 80.4 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.106 -1.621 . . . . 0.0 116.114 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.991 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.75 55.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 126.594 2.434 . . . . 0.0 106.037 176.156 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.43 141.99 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.558 3.036 . . . . 0.0 109.019 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.58 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.211 -1.796 . . . . 0.0 108.215 178.134 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 153.98 44.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.448 -179.214 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.166 4.041 . . . . 0.0 103.577 174.032 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.698 3.124 . . . . 0.0 111.205 -177.869 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.316 174.656 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.45 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.534 2.156 . . . . 0.0 111.94 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.862 -177.515 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.49 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.876 -179.016 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.39 21.29 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.696 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 127.178 2.799 . . . . 0.0 110.404 175.752 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.43 79.02 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.318 -0.864 . . . . 0.0 110.729 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.91 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.93 83.66 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.76 -179.741 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.34 Favored 'General case' 0 C--O 1.279 2.625 0 CA-C-N 117.977 0.353 . . . . 0.0 111.206 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.26 86.88 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.342 -1.474 . . . . 0.0 110.812 176.024 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.51 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.897 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.13 -48.64 79.2 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.508 2.575 . . . . 0.0 109.002 179.414 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.308 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.76 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.41 17.93 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -175.655 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.36 8.12 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.152 2.706 . . . . 0.0 113.987 179.821 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.43 90.11 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.511 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.009 179.676 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.06 137.0 79.97 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.171 2.581 . . . . 0.0 110.909 178.193 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.73 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.718 0.945 . . . . 0.0 113.393 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.807 0 O-C-N 119.938 -1.726 . . . . 0.0 112.189 -177.432 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.529 -1.357 . . . . 0.0 112.049 178.664 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 124.306 2.003 . . . . 0.0 115.621 -177.644 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.84 -2.282 . . . . 0.0 104.84 172.133 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.08 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 119.466 1.03 . . . . 0.0 109.974 -177.576 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.131 1.519 . . . . 0.0 111.897 -177.545 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.69 18.97 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.516 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.97 19.44 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.768 177.4 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.58 61.19 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 128.291 2.853 . . . . 0.0 117.457 -179.531 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 177.673 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.569 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.44 37.49 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.004 -175.855 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 139.94 36.83 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.708 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.2 29.52 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 -175.834 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.87 85.26 Favored Glycine 0 CA--C 1.492 -1.356 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 -177.279 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 120.028 -1.866 . . . . 0.0 107.99 176.509 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.154 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.197 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.92 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.151 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.29 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.454 1.121 . . . . 0.0 110.764 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.44 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.991 179.259 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.41 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 121.526 1.966 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.035 0 CA-C-O 115.074 -2.394 . . . . 0.0 106.18 175.85 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.5 8.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.12 2.138 . . . . 0.0 109.516 -176.864 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.523 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.69 143.05 26.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.215 1.483 . . . . 0.0 109.292 -176.924 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.494 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.52 34.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.75 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.74 52.26 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.926 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.713 -2.565 . . . . 0.0 105.712 175.046 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.411 2.944 . . . . 0.0 105.907 177.898 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.523 176.564 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.149 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.165 0.507 . . . . 0.0 109.87 178.424 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.502 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.92 34.43 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . -146.56 113.49 6.12 Favored 'General case' 0 C--O 1.273 2.305 0 CA-C-O 113.369 -3.205 . . . . 0.0 105.548 -179.765 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -102.84 131.53 49.67 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.798 1.936 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -62.58 150.96 39.14 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.866 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.99 -170.32 42.88 Favored Glycine 0 C--O 1.244 0.746 0 CA-C-N 114.643 -1.162 . . . . 0.0 115.1 -179.458 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 116.398 -2.334 . . . . 0.0 108.362 179.158 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.908 2.63 . . . . 0.0 108.912 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 173.375 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.19 49.49 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.449 4.843 . . . . 0.0 108.733 179.614 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 113.368 -3.206 . . . . 0.0 105.468 175.837 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.21 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.458 4.224 . . . . 0.0 108.081 -178.192 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.38 -6.98 49.69 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.077 0.86 . . . . 0.0 112.598 -177.947 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 115.838 -2.345 . . . . 0.0 112.004 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.117 -1.614 . . . . 0.0 116.138 179.759 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 174.956 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.659 2.474 . . . . 0.0 106.063 176.177 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.624 3.077 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.83 36.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.228 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.458 -179.191 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.18 44.33 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.229 4.08 . . . . 0.0 103.559 173.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.63 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.678 3.111 . . . . 0.0 111.184 -177.87 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.54 37.73 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.363 174.655 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.39 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.503 2.135 . . . . 0.0 111.984 177.752 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.14 59.15 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.897 -177.509 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.45 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 117.348 -1.741 . . . . 0.0 109.826 -179.007 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.4 21.25 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.716 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 127.201 2.813 . . . . 0.0 110.386 175.795 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.43 79.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.352 -0.842 . . . . 0.0 110.737 176.963 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.47 86.99 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 124.374 1.069 . . . . 0.0 111.507 -179.626 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.38 -46.45 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.062 1.476 . . . . 0.0 109.277 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -38.03 83.81 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.21 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-N 118.002 0.364 . . . . 0.0 111.186 176.875 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.438 -1.414 . . . . 0.0 110.833 176.021 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.4 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.58 79.27 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.514 2.578 . . . . 0.0 109.043 179.468 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.74 66.58 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.707 179.132 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.36 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -175.639 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.33 8.09 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.094 2.679 . . . . 0.0 113.95 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.11 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.494 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.86 83.25 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.995 179.747 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.139 2.559 . . . . 0.0 110.922 178.21 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.71 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 122.879 0.936 . . . . 0.0 113.376 -179.32 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.62 63.65 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.98 -1.7 . . . . 0.0 112.205 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.46 29.0 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.507 -1.371 . . . . 0.0 112.05 178.711 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 124.311 2.005 . . . . 0.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.126 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.427 1.012 . . . . 0.0 110.0 -177.57 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.128 1.517 . . . . 0.0 111.926 -177.531 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.69 18.9 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.505 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.97 19.54 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.814 177.39 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.51 61.09 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.378 2.894 . . . . 0.0 117.523 -179.444 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.7 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 174.56 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.36 37.49 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.734 -1.126 . . . . 0.0 110.031 -175.895 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.0 36.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.047 1.467 . . . . 0.0 109.977 -177.747 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.25 29.29 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.737 3.606 . . . . 0.0 120.737 -175.788 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.491 -1.42 0 N-CA-C 116.085 1.194 . . . . 0.0 116.085 -177.362 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.53 17.09 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.003 -1.881 . . . . 0.0 107.969 176.528 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.54 11.68 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.121 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.136 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.16 -179.481 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.33 70.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.457 1.123 . . . . 0.0 110.717 179.791 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.42 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.967 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.98 45.28 18.34 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 121.596 1.998 . . . . 0.0 111.159 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.37 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.126 -2.369 . . . . 0.0 106.105 175.867 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 126.087 2.117 . . . . 0.0 109.489 -176.86 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -54.75 143.04 26.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.231 1.491 . . . . 0.0 109.281 -176.937 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.469 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.63 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.787 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.76 52.31 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.958 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 114.668 -2.587 . . . . 0.0 105.717 175.01 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.44 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.448 2.968 . . . . 0.0 105.854 177.974 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.475 176.598 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.9 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.068 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.158 0.504 . . . . 0.0 109.848 178.473 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.575 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.28 33.91 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -121.82 170.09 10.11 Favored 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.503 -179.391 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -151.25 128.76 11.41 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.768 1.918 . . . . 0.0 109.859 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -89.72 120.76 31.26 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.827 -179.289 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -87.84 -177.27 47.95 Favored Glycine 0 C--O 1.243 0.717 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.082 -179.346 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.407 -2.33 . . . . 0.0 108.364 179.172 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.987 2.679 . . . . 0.0 108.952 178.305 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.691 173.394 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.471 4.857 . . . . 0.0 108.82 179.556 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 113.382 -3.199 . . . . 0.0 105.516 175.807 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.408 4.192 . . . . 0.0 108.08 -178.176 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.34 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.084 0.865 . . . . 0.0 112.576 -177.933 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 14.99 30.25 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.762 -2.375 . . . . 0.0 111.994 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.47 80.35 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.147 -1.595 . . . . 0.0 116.131 179.763 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.03 34.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 174.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.72 55.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.644 2.465 . . . . 0.0 106.03 176.155 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.623 3.077 . . . . 0.0 109.0 179.668 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.225 178.12 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.99 44.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.318 -2.277 . . . . 0.0 108.451 -179.186 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.18 44.37 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.265 4.103 . . . . 0.0 103.531 174.004 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.62 15.88 Favored 'Isoleucine or valine' 0 C--O 1.252 1.188 0 O-C-N 127.731 3.144 . . . . 0.0 111.218 -177.891 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.183 -2.281 . . . . 0.0 106.269 174.699 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.47 39.03 Favored 'Trans proline' 0 C--N 1.319 -0.982 0 C-N-CA 122.554 2.169 . . . . 0.0 111.961 177.687 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.15 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.918 -177.525 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.885 -179.056 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.42 21.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.702 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.21 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.213 2.821 . . . . 0.0 110.353 175.806 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.66 -40.39 79.24 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.342 -0.848 . . . . 0.0 110.753 176.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.58 -44.45 86.63 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 124.367 1.067 . . . . 0.0 111.565 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.44 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.061 1.475 . . . . 0.0 109.275 178.524 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.99 83.88 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.809 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.95 86.99 Favored 'General case' 0 C--O 1.279 2.63 0 CA-C-N 117.967 0.348 . . . . 0.0 111.214 176.863 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.396 -1.44 . . . . 0.0 110.789 176.027 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.923 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.6 79.26 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.534 2.588 . . . . 0.0 109.016 179.463 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.62 66.64 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.743 179.132 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.66 -24.39 17.9 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -175.634 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.32 8.09 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 123.178 2.717 . . . . 0.0 113.97 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.34 90.15 Favored Glycine 0 CA--C 1.477 -2.314 0 N-CA-C 118.871 2.309 . . . . 0.0 118.871 176.539 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.95 79.64 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.169 2.579 . . . . 0.0 110.906 178.251 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.262 1.685 0 O-C-N 122.857 0.925 . . . . 0.0 113.43 -179.331 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.59 63.64 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.956 -1.715 . . . . 0.0 112.249 -177.482 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.77 -10.55 28.83 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 120.459 -1.401 . . . . 0.0 112.023 178.692 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.76 34.78 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.338 2.018 . . . . 0.0 115.664 -177.66 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.94 23.91 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.142 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.489 1.04 . . . . 0.0 110.001 -177.595 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.83 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 O-C-N 125.159 1.537 . . . . 0.0 111.951 -177.522 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.542 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.97 19.39 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.775 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.58 61.21 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.398 2.904 . . . . 0.0 117.5 -179.497 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.66 46.35 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.703 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 174.601 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.011 -175.9 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.052 1.47 . . . . 0.0 109.967 -177.747 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.93 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.8 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.25 Favored Glycine 0 CA--C 1.491 -1.414 0 N-CA-C 116.095 1.198 . . . . 0.0 116.095 -177.323 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.57 17.0 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.969 -1.9 . . . . 0.0 107.969 176.554 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.129 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.178 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.58 70.73 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.289 -1.765 . . . . 0.0 112.18 -179.447 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.3 70.67 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.453 1.12 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.673 -1.156 . . . . 0.0 112.997 179.261 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.4 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.598 1.999 . . . . 0.0 111.166 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.39 30.29 Favored 'Isoleucine or valine' 0 C--O 1.269 2.082 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.165 175.818 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 126.127 2.142 . . . . 0.0 109.544 -176.917 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.242 1.496 . . . . 0.0 109.223 -176.853 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.13 10.61 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.889 2.552 . . . . 0.0 117.889 179.437 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 174.825 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.71 52.2 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.944 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.731 -2.557 . . . . 0.0 105.726 174.995 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.387 2.929 . . . . 0.0 105.89 177.969 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.795 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.526 176.588 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.17 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.162 0.506 . . . . 0.0 109.858 178.447 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.575 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 68.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' H ' ' H71' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.07 35.67 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -124.89 148.31 48.36 Favored 'General case' 0 C--O 1.271 2.23 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.539 -178.937 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -162.84 -144.42 0.09 Allowed 'General case' 0 C--N 1.293 -1.887 0 O-C-N 125.837 1.961 . . . . 0.0 109.844 179.959 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 70.19 174.16 0.3 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 113.746 -1.57 . . . . 0.0 108.846 -179.267 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' HZ3' ' B' ' 63' ' ' LYS . . . -177.32 -175.03 44.24 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 114.643 -1.162 . . . . 0.0 115.113 -179.527 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 CA-C-O 116.356 -2.358 . . . . 0.0 108.361 179.313 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.685 . . . . 0.0 108.899 178.347 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 173.407 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.457 4.848 . . . . 0.0 108.77 179.585 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.515 175.81 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.47 41.23 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.411 4.195 . . . . 0.0 108.077 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.98 49.78 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.076 0.86 . . . . 0.0 112.584 -177.966 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.05 30.05 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 115.826 -2.349 . . . . 0.0 111.995 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.617 0 O-C-N 120.106 -1.621 . . . . 0.0 116.145 179.787 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 174.981 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.571 2.419 . . . . 0.0 106.05 176.144 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.579 3.05 . . . . 0.0 109.018 179.689 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.78 36.69 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.223 178.134 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.417 -179.204 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.179 4.049 . . . . 0.0 103.548 174.028 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.74 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.693 3.12 . . . . 0.0 111.2 -177.9 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.7 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.312 174.725 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.45 39.37 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.586 2.191 . . . . 0.0 111.904 177.713 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.15 59.16 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.897 -177.467 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.43 47.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.374 -1.73 . . . . 0.0 109.864 -179.05 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.729 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.245 2.841 . . . . 0.0 110.369 175.77 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.41 79.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.383 -0.823 . . . . 0.0 110.713 177.042 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.49 86.92 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.304 1.042 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.43 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.037 1.461 . . . . 0.0 109.345 178.484 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.802 -179.82 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.11 87.43 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.992 0.36 . . . . 0.0 111.184 176.926 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 120.384 -1.448 . . . . 0.0 110.826 175.982 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.45 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.62 79.19 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.524 2.583 . . . . 0.0 108.988 179.51 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.73 66.49 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.734 179.139 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.66 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.143 2.701 . . . . 0.0 114.003 179.782 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.883 2.313 . . . . 0.0 118.883 176.505 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.748 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.998 179.726 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.9 79.43 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.164 2.576 . . . . 0.0 110.929 178.178 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.14 92.73 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.858 0.925 . . . . 0.0 113.389 -179.373 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.264 1.822 0 O-C-N 119.955 -1.715 . . . . 0.0 112.164 -177.443 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.473 -1.392 . . . . 0.0 112.07 178.69 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.67 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.34 2.019 . . . . 0.0 115.615 -177.66 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.153 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.3 51.1 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.51 1.05 . . . . 0.0 109.987 -177.56 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.203 1.564 . . . . 0.0 111.877 -177.482 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.65 18.93 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.491 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.96 19.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.747 177.355 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.61 61.1 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.346 2.879 . . . . 0.0 117.449 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.691 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.538 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.32 37.43 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.021 -175.872 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 139.98 36.73 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.03 1.457 . . . . 0.0 109.933 -177.762 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.27 29.0 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.638 3.57 . . . . 0.0 120.638 -175.791 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.89 85.26 Favored Glycine 0 CA--C 1.491 -1.429 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -177.326 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 119.94 -1.917 . . . . 0.0 108.0 176.504 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.59 11.65 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.24 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.194 -179.464 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.58 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.487 1.137 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.61 51.56 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.986 179.272 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.43 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 121.571 1.987 . . . . 0.0 111.21 179.861 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.177 175.834 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 126.069 2.106 . . . . 0.0 109.522 -176.835 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.504 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 20.9 pttm -54.68 143.01 26.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.18 1.467 . . . . 0.0 109.242 -176.906 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.73 52.24 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.898 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.728 174.985 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.41 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.421 2.95 . . . . 0.0 105.894 177.927 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.524 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.9 28.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 175.114 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.197 0.522 . . . . 0.0 109.858 178.419 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.425 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.448 ' H71' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.611 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 80.0 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.597 ' O ' ' H61' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.73 36.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -150.32 -160.12 1.13 Allowed 'General case' 0 C--O 1.272 2.287 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.508 -175.852 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 55.92 75.77 0.32 Allowed 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.763 1.914 . . . . 0.0 109.833 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -59.96 -38.11 81.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.882 -179.879 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.36 -7.52 59.99 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-N 114.701 -1.136 . . . . 0.0 115.089 -179.555 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 116.351 -2.361 . . . . 0.0 108.343 179.242 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.21 31.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.928 2.642 . . . . 0.0 108.941 178.328 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.394 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.495 4.872 . . . . 0.0 108.769 179.574 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.433 -3.175 . . . . 0.0 105.489 175.79 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.48 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.381 4.176 . . . . 0.0 108.063 -178.169 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.18 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.017 0.823 . . . . 0.0 112.572 -177.953 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.778 -2.369 . . . . 0.0 112.015 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.34 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.072 -1.642 . . . . 0.0 116.088 179.742 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.964 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.587 2.429 . . . . 0.0 106.038 176.145 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.555 3.035 . . . . 0.0 109.039 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.237 178.144 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.22 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.375 -2.25 . . . . 0.0 108.461 -179.22 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.043 1 O-C-N 129.201 4.063 . . . . 0.0 103.527 174.009 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 O-C-N 127.687 3.117 . . . . 0.0 111.233 -177.957 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.362 174.658 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.26 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 122.578 2.185 . . . . 0.0 111.974 177.705 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.2 59.17 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.935 -177.52 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.841 -179.027 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.718 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 127.174 2.796 . . . . 0.0 110.393 175.776 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.401 -0.812 . . . . 0.0 110.745 176.983 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.01 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 124.343 1.057 . . . . 0.0 111.494 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.41 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.108 1.505 . . . . 0.0 109.318 178.525 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.77 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.759 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-N 118.022 0.373 . . . . 0.0 111.252 176.853 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.19 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.369 -1.457 . . . . 0.0 110.801 175.999 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.914 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.57 79.39 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.494 2.569 . . . . 0.0 109.015 179.445 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.68 66.59 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.671 -1.604 . . . . 0.0 111.721 179.149 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.48 17.95 Favored 'General case' 0 C--O 1.28 2.682 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.676 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 123.166 2.712 . . . . 0.0 113.956 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.37 90.1 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.906 2.322 . . . . 0.0 118.906 176.543 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.83 83.3 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.55 Favored 'Trans proline' 0 C--O 1.26 1.591 0 C-N-CA 123.167 2.578 . . . . 0.0 110.914 178.206 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.697 0.932 . . . . 0.0 113.46 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.967 -1.708 . . . . 0.0 112.201 -177.467 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.507 -1.371 . . . . 0.0 112.026 178.689 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.74 34.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 124.306 2.003 . . . . 0.0 115.663 -177.638 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.94 23.91 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 172.157 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.06 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.493 1.042 . . . . 0.0 109.992 -177.568 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.144 1.527 . . . . 0.0 111.924 -177.489 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.515 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.47 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.792 177.384 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.57 61.07 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 128.389 2.9 . . . . 0.0 117.499 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.724 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.509 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.007 -175.892 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.092 1.495 . . . . 0.0 109.963 -177.741 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.15 30.28 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.682 3.586 . . . . 0.0 120.682 -175.801 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.24 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.113 1.205 . . . . 0.0 116.113 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.52 17.05 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 120.029 -1.865 . . . . 0.0 107.987 176.512 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.112 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.18 79.12 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.163 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.6 70.75 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 117.314 -1.754 . . . . 0.0 112.124 -179.423 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.405 1.097 . . . . 0.0 110.699 179.768 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.42 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.983 179.286 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.3 18.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.569 1.986 . . . . 0.0 111.185 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.4 30.26 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.128 -2.367 . . . . 0.0 106.161 175.864 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.097 2.123 . . . . 0.0 109.555 -176.848 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 38.2 ttpt -54.73 142.99 26.64 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.207 1.479 . . . . 0.0 109.26 -176.932 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.09 10.58 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.927 2.566 . . . . 0.0 117.927 179.491 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.49 34.61 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.789 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.952 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.73 174.99 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.414 2.946 . . . . 0.0 105.862 177.919 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.489 176.56 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.084 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.235 0.54 . . . . 0.0 109.804 178.489 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.611 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.597 ' H61' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.99 37.11 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -156.01 -162.59 1.32 Allowed 'General case' 0 C--O 1.272 2.25 0 CA-C-O 113.394 -3.193 . . . . 0.0 105.492 179.028 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 55.67 157.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.905 0 O-C-N 125.798 1.936 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 63.72 74.3 0.42 Allowed 'General case' 0 C--O 1.246 0.884 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.838 -179.198 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.15 9.1 4.77 Favored Glycine 0 C--O 1.243 0.684 0 CA-C-N 114.668 -1.151 . . . . 0.0 115.077 -179.498 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.42 -2.322 . . . . 0.0 108.361 179.242 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 126.991 2.682 . . . . 0.0 108.896 178.333 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 162.98 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.385 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.22 49.44 Favored 'General case' 0 N--CA 1.512 2.641 1 O-C-N 130.468 4.855 . . . . 0.0 108.789 179.58 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.49 175.86 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.48 41.22 Favored 'General case' 0 N--CA 1.505 2.276 1 O-C-N 129.416 4.197 . . . . 0.0 108.048 -178.173 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.75 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.071 0.857 . . . . 0.0 112.582 -177.934 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.834 -2.346 . . . . 0.0 112.041 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.137 -1.602 . . . . 0.0 116.126 179.771 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.002 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.82 55.37 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 126.588 2.43 . . . . 0.0 106.02 176.165 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.557 3.036 . . . . 0.0 109.071 179.609 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.278 -1.769 . . . . 0.0 108.201 178.129 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.39 -179.181 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.47 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.197 4.061 . . . . 0.0 103.597 173.963 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.7 15.69 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.619 3.075 . . . . 0.0 111.229 -177.869 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.35 174.645 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.46 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.545 2.163 . . . . 0.0 111.973 177.674 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.899 -177.507 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.54 47.47 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.329 -1.748 . . . . 0.0 109.904 -179.072 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.708 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 O-C-N 127.169 2.793 . . . . 0.0 110.351 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.2 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.382 -0.824 . . . . 0.0 110.707 177.021 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.93 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.339 1.056 . . . . 0.0 111.5 -179.6 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.086 1.491 . . . . 0.0 109.302 178.529 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.98 83.85 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.11 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-N 117.977 0.353 . . . . 0.0 111.21 176.893 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.28 86.95 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.367 -1.458 . . . . 0.0 110.833 175.968 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.44 77.38 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.55 79.5 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.019 179.486 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.64 66.68 Favored 'General case' 0 C--O 1.254 1.328 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.728 179.137 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.65 -24.38 17.91 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -175.702 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.142 2.701 . . . . 0.0 113.964 179.789 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.916 2.326 . . . . 0.0 118.916 176.561 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.29 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.029 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.147 2.565 . . . . 0.0 110.91 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.08 92.55 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.877 0.935 . . . . 0.0 113.427 -179.408 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.6 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.969 -1.707 . . . . 0.0 112.227 -177.413 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.51 28.77 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.502 -1.374 . . . . 0.0 112.032 178.675 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.325 2.012 . . . . 0.0 115.585 -177.575 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.87 23.83 Favored 'General case' 0 C--O 1.296 3.516 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.103 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.53 130.3 50.9 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.461 1.028 . . . . 0.0 109.971 -177.555 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.83 72.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 125.128 1.517 . . . . 0.0 111.878 -177.475 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.64 18.89 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.51 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 112.245 -2.252 . . . . 0.0 110.768 177.394 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.5 61.11 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.296 2.855 . . . . 0.0 117.553 -179.49 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.4 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.708 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.32 37.5 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.029 -175.895 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.061 1.476 . . . . 0.0 109.973 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.19 29.01 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.781 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.87 85.23 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.117 1.207 . . . . 0.0 116.117 -177.341 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.59 17.02 Favored 'General case' 0 C--O 1.249 1.079 0 O-C-N 119.983 -1.893 . . . . 0.0 108.029 176.463 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.59 11.65 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.17 79.21 Favored 'General case' 0 C--O 1.203 -1.39 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.165 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.331 -1.748 . . . . 0.0 112.164 -179.453 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.459 1.123 . . . . 0.0 110.759 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.997 179.254 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.34 18.61 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-N 121.538 1.972 . . . . 0.0 111.196 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.033 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.165 175.807 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.174 2.171 . . . . 0.0 109.506 -176.84 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -54.75 143.02 26.64 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.205 1.479 . . . . 0.0 109.242 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 179.45 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.788 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.71 52.24 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.923 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.66 19.1 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.721 -2.561 . . . . 0.0 105.706 174.995 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.45 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 127.398 2.936 . . . . 0.0 105.872 177.951 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.85 30.9 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.609 -1.186 . . . . 0.0 111.502 176.558 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.93 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.104 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.173 0.511 . . . . 0.0 109.875 178.393 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.497 ' S1 ' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.416 ' H ' ' H41' ' A' ' 101' ' ' MTN . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.498 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.9 38.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -113.61 4.57 16.17 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.517 -179.374 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 56.99 155.17 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.886 0 O-C-N 125.794 1.934 . . . . 0.0 109.838 -179.698 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.37 -48.86 76.15 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.857 -179.357 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 68.42 -163.31 49.15 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.673 -1.149 . . . . 0.0 115.007 -179.277 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.477 0 CA-C-O 116.386 -2.341 . . . . 0.0 108.352 179.235 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.486 ' H ' ' HE2' ' B' ' 63' ' ' LYS . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.943 2.652 . . . . 0.0 108.941 178.279 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 173.361 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.667 1 O-C-N 130.436 4.835 . . . . 0.0 108.784 179.571 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.482 175.838 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.52 41.19 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.422 4.201 . . . . 0.0 108.039 -178.132 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.79 8.35 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.9 49.33 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.053 0.846 . . . . 0.0 112.601 -177.952 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 115.838 -2.345 . . . . 0.0 111.972 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.38 80.38 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.097 -1.627 . . . . 0.0 116.113 179.732 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.11 34.33 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 174.958 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 126.629 2.456 . . . . 0.0 106.031 176.162 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 127.606 3.066 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.73 36.66 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.232 178.14 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.38 154.0 44.17 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.439 -179.188 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.22 4.075 . . . . 0.0 103.587 173.974 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.62 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.706 3.128 . . . . 0.0 111.202 -177.91 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.295 174.735 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.41 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.497 2.131 . . . . 0.0 111.944 177.698 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.875 -177.498 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.98 148.51 47.58 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.746 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.23 77.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.152 2.782 . . . . 0.0 110.382 175.738 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.49 79.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.736 176.941 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.5 87.13 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.302 1.041 . . . . 0.0 111.568 -179.659 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.44 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.044 1.465 . . . . 0.0 109.302 178.491 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.83 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.721 -179.761 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.09 87.38 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.029 0.377 . . . . 0.0 111.232 176.916 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.26 86.87 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.448 -1.407 . . . . 0.0 110.819 176.026 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.44 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.249 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.45 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.559 2.599 . . . . 0.0 109.002 179.471 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.63 66.65 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.39 17.94 Favored 'General case' 0 C--O 1.279 2.632 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.687 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.39 8.07 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.111 2.687 . . . . 0.0 113.981 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.16 Favored Glycine 0 CA--C 1.478 -2.225 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.525 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.86 83.41 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.062 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.35 Favored 'Trans proline' 0 C--O 1.259 1.535 0 C-N-CA 123.153 2.568 . . . . 0.0 110.935 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.07 92.59 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.871 0.932 . . . . 0.0 113.405 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.948 -1.72 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.515 -1.366 . . . . 0.0 112.009 178.703 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.77 34.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.311 2.005 . . . . 0.0 115.629 -177.611 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.33 115.95 23.9 Favored 'General case' 0 C--O 1.296 3.503 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 172.129 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.414 1.006 . . . . 0.0 109.968 -177.524 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 125.111 1.507 . . . . 0.0 111.92 -177.508 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 177.514 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.68 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.813 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.56 61.13 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 128.366 2.888 . . . . 0.0 117.464 -179.524 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.6 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 174.525 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.37 37.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.019 -175.896 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.98 36.77 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.042 1.464 . . . . 0.0 109.976 -177.776 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.21 29.24 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.744 3.609 . . . . 0.0 120.744 -175.85 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.3 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.56 17.01 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 120.04 -1.859 . . . . 0.0 107.988 176.518 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 177.111 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.158 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.96 -29.58 70.73 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.175 -179.444 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.466 1.127 . . . . 0.0 110.698 179.766 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.969 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.59 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.599 1.999 . . . . 0.0 111.236 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.212 -2.328 . . . . 0.0 106.157 175.826 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.5 8.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 126.078 2.111 . . . . 0.0 109.467 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.486 ' HE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -54.72 142.99 26.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.176 1.465 . . . . 0.0 109.296 -176.937 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.1 10.57 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.919 2.562 . . . . 0.0 117.919 179.508 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.747 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.17 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.663 176.015 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.741 174.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.78 46.42 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.421 2.95 . . . . 0.0 105.885 177.947 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.471 176.592 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 175.105 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.213 0.53 . . . . 0.0 109.833 178.459 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.498 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.462 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 140.1 31.27 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . 107.65 74.81 0.0 OUTLIER 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.558 -179.22 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -64.76 -42.29 95.25 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 125.812 1.945 . . . . 0.0 109.793 -179.77 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -156.79 154.06 29.32 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 113.738 -1.574 . . . . 0.0 108.892 -179.357 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -96.34 -171.45 34.99 Favored Glycine 0 C--O 1.244 0.727 0 CA-C-N 114.67 -1.15 . . . . 0.0 115.067 -179.428 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.457 0 CA-C-O 116.346 -2.363 . . . . 0.0 108.349 179.231 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.992 2.683 . . . . 0.0 108.941 178.319 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 CA-C-O 115.972 -1.966 . . . . 0.0 105.698 173.365 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.11 49.56 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.421 4.825 . . . . 0.0 108.759 179.583 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.02 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.508 175.815 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.51 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.377 4.173 . . . . 0.0 108.036 -178.156 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.91 49.44 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.039 0.837 . . . . 0.0 112.61 -177.984 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.796 -2.362 . . . . 0.0 111.989 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.51 80.27 Favored Glycine 0 C--N 1.297 -1.61 0 O-C-N 120.083 -1.636 . . . . 0.0 116.158 179.785 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.45 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.97 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.81 55.36 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.614 2.447 . . . . 0.0 106.005 176.135 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.53 3.019 . . . . 0.0 109.072 179.621 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.69 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.241 -1.784 . . . . 0.0 108.233 178.129 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.498 1.971 1 O-C-N 129.183 4.052 . . . . 0.0 103.568 174.021 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 127.697 3.123 . . . . 0.0 111.226 -177.911 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.174 -2.284 . . . . 0.0 106.309 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.41 39.39 Favored 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 122.587 2.192 . . . . 0.0 111.951 177.664 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.07 -0.966 . . . . 0.0 110.876 -177.463 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.53 47.4 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.876 -179.047 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.686 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.26 77.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.203 2.814 . . . . 0.0 110.39 175.791 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.19 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.742 176.976 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.48 87.11 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 124.288 1.035 . . . . 0.0 111.525 -179.652 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.41 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.038 1.461 . . . . 0.0 109.311 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.95 83.75 Favored 'General case' 0 C--O 1.257 1.459 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.02 87.05 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.032 0.378 . . . . 0.0 111.229 176.892 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.2 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.422 -1.424 . . . . 0.0 110.795 176.021 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.54 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.6 79.37 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.474 2.559 . . . . 0.0 108.995 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.74 66.55 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.703 179.182 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.37 17.97 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -175.65 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.4 8.07 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.075 2.671 . . . . 0.0 113.962 179.795 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.477 -2.293 0 N-CA-C 118.906 2.323 . . . . 0.0 118.906 176.551 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.84 83.39 Favored Pre-proline 0 C--O 1.243 0.711 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.006 179.696 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.87 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.138 2.559 . . . . 0.0 110.911 178.218 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.13 92.77 Favored 'Trans proline' 0 C--O 1.263 1.725 0 C-N-CA 120.71 0.94 . . . . 0.0 113.398 -179.337 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.956 -1.715 . . . . 0.0 112.205 -177.446 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.44 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.532 -1.355 . . . . 0.0 112.087 178.672 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.339 2.018 . . . . 0.0 115.616 -177.621 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.506 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 172.049 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.97 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.439 1.018 . . . . 0.0 109.986 -177.579 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.13 1.519 . . . . 0.0 111.931 -177.534 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 177.509 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.48 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 112.311 -2.222 . . . . 0.0 110.761 177.408 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.6 61.04 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.324 2.869 . . . . 0.0 117.517 -179.518 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 177.712 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.26 34.61 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.588 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.34 37.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.04 -175.885 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.72 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.051 1.469 . . . . 0.0 109.969 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.21 29.61 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.813 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.415 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 -177.391 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 120.0 -1.882 . . . . 0.0 108.019 176.493 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 177.145 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.25 79.29 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.136 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 117.31 -1.756 . . . . 0.0 112.163 -179.447 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.3 70.66 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 122.483 1.135 . . . . 0.0 110.767 179.758 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.72 51.36 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 117.642 -1.17 . . . . 0.0 112.975 179.245 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.59 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 121.568 1.985 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.182 175.838 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.47 8.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.565 -176.878 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.572 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.7 143.0 26.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.217 1.484 . . . . 0.0 109.23 -176.946 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.433 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.51 34.61 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.791 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.942 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 114.68 -2.581 . . . . 0.0 105.722 174.999 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 127.463 2.977 . . . . 0.0 105.895 177.927 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.642 -1.171 . . . . 0.0 111.496 176.575 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.137 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.41 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' LEU . . . -96.06 139.1 32.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 107.87 147.04 0.0 OUTLIER 'General case' 0 C--O 1.272 2.282 0 CA-C-O 113.412 -3.185 . . . . 0.0 105.525 -179.058 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -167.37 -74.33 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.899 0 O-C-N 125.777 1.923 . . . . 0.0 109.809 -179.429 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -134.25 138.49 45.09 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.877 -179.509 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -147.53 -120.06 1.15 Allowed Glycine 0 C--O 1.243 0.681 0 CA-C-N 114.663 -1.153 . . . . 0.0 115.069 -179.347 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.474 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.391 179.252 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 126.976 2.672 . . . . 0.0 108.891 178.336 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.433 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.48 Favored 'General case' 0 N--CA 1.512 2.659 1 O-C-N 130.494 4.871 . . . . 0.0 108.744 179.598 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.547 175.808 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.46 41.16 Favored 'General case' 0 N--CA 1.504 2.254 1 O-C-N 129.41 4.194 . . . . 0.0 108.082 -178.165 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.007 0.817 . . . . 0.0 112.585 -177.952 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.853 -2.339 . . . . 0.0 112.017 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.36 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.191 -1.568 . . . . 0.0 116.115 179.781 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 174.992 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 126.614 2.446 . . . . 0.0 106.036 176.167 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.592 3.058 . . . . 0.0 109.056 179.673 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.78 36.67 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.216 -1.794 . . . . 0.0 108.246 178.07 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.02 44.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.19 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.35 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.211 4.069 . . . . 0.0 103.567 174.007 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.67 3.106 . . . . 0.0 111.219 -177.885 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.51 37.76 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.306 174.684 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.46 39.16 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.581 2.187 . . . . 0.0 111.928 177.753 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.877 -177.518 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.47 47.49 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.339 -1.744 . . . . 0.0 109.857 -179.026 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.693 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 127.16 2.787 . . . . 0.0 110.375 175.77 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.44 79.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.396 -0.815 . . . . 0.0 110.732 176.988 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.81 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.362 1.065 . . . . 0.0 111.523 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.38 89.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.085 1.49 . . . . 0.0 109.291 178.509 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.94 83.78 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.05 87.07 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 117.989 0.359 . . . . 0.0 111.204 176.858 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.2 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.395 -1.441 . . . . 0.0 110.817 176.011 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.51 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.555 2.598 . . . . 0.0 109.003 179.47 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.72 66.72 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.75 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.42 17.94 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 -175.642 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.33 8.12 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.105 2.684 . . . . 0.0 113.982 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.44 90.12 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.897 2.319 . . . . 0.0 118.897 176.534 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.28 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.126 2.551 . . . . 0.0 110.935 178.222 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.17 92.75 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.716 0.944 . . . . 0.0 113.417 -179.383 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.981 -1.699 . . . . 0.0 112.19 -177.429 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.481 -1.387 . . . . 0.0 112.06 178.71 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.294 1.997 . . . . 0.0 115.669 -177.648 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.139 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.21 50.89 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.456 1.025 . . . . 0.0 109.979 -177.561 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.152 1.533 . . . . 0.0 111.913 -177.546 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.65 18.96 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.485 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.794 177.398 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.56 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.324 2.868 . . . . 0.0 117.535 -179.449 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.687 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.55 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.38 37.49 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.737 -1.125 . . . . 0.0 110.035 -175.9 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.7 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 125.054 1.471 . . . . 0.0 109.982 -177.75 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.13 30.11 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 -175.831 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.83 85.26 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -177.307 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.01 -1.877 . . . . 0.0 107.977 176.514 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.157 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.117 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.63 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.138 -179.49 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.32 70.49 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.419 1.104 . . . . 0.0 110.666 179.816 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.62 51.48 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.998 179.293 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.4 18.4 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.529 1.968 . . . . 0.0 111.184 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.183 175.812 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.086 2.116 . . . . 0.0 109.517 -176.866 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.74 143.05 26.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.24 1.495 . . . . 0.0 109.23 -176.92 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.16 10.64 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 179.453 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.797 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.73 52.21 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.955 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.73 -2.557 . . . . 0.0 105.695 175.063 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.81 46.39 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 127.348 2.905 . . . . 0.0 105.934 177.896 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.594 -1.193 . . . . 0.0 111.488 176.611 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.114 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.2 0.524 . . . . 0.0 109.866 178.384 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.498 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 139.74 31.8 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -149.93 -164.07 1.93 Allowed 'General case' 0 C--O 1.272 2.259 0 CA-C-O 113.393 -3.194 . . . . 0.0 105.495 -179.448 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 58.89 64.7 1.36 Allowed 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.787 1.93 . . . . 0.0 109.847 -179.642 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.59 -41.27 98.37 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.765 -1.561 . . . . 0.0 108.844 -179.315 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.96 159.22 26.46 Favored Glycine 0 C--O 1.243 0.69 0 CA-C-N 114.662 -1.153 . . . . 0.0 115.065 -179.467 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 CA-C-O 116.368 -2.351 . . . . 0.0 108.344 179.157 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.968 2.668 . . . . 0.0 108.941 178.28 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.411 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.436 4.835 . . . . 0.0 108.792 179.564 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.22 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.417 -3.182 . . . . 0.0 105.543 175.808 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.48 41.27 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.349 4.156 . . . . 0.0 108.035 -178.142 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.46 170.75 8.4 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.73 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.033 0.833 . . . . 0.0 112.584 -177.925 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 15.02 30.16 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.992 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.48 80.31 Favored Glycine 0 C--N 1.296 -1.641 0 O-C-N 120.16 -1.588 . . . . 0.0 116.126 179.757 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.935 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.589 2.431 . . . . 0.0 105.993 176.157 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.629 3.081 . . . . 0.0 109.083 179.609 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.185 178.16 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.01 44.26 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 115.331 -2.271 . . . . 0.0 108.416 -179.193 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.15 44.27 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.229 4.081 . . . . 0.0 103.523 173.995 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.64 15.86 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 O-C-N 127.711 3.132 . . . . 0.0 111.208 -177.918 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.53 37.74 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 112.143 -2.299 . . . . 0.0 106.3 174.724 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.33 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.566 2.177 . . . . 0.0 111.953 177.713 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.11 59.14 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.894 -177.487 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.47 47.52 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.046 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.41 21.25 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 175.658 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.28 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 127.155 2.784 . . . . 0.0 110.425 175.722 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.36 79.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.409 -0.807 . . . . 0.0 110.71 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.46 86.67 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.336 1.055 . . . . 0.0 111.504 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.52 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.076 1.485 . . . . 0.0 109.272 178.527 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.93 83.69 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.08 87.37 Favored 'General case' 0 C--O 1.279 2.643 0 CA-C-N 117.967 0.348 . . . . 0.0 111.227 176.889 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.31 87.03 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.41 -1.432 . . . . 0.0 110.796 176.02 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.264 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.907 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.6 79.27 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.527 2.584 . . . . 0.0 109.022 179.445 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.74 66.46 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.762 179.178 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 -175.693 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.4 8.1 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 123.133 2.697 . . . . 0.0 113.97 179.808 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.309 0 N-CA-C 118.885 2.314 . . . . 0.0 118.885 176.552 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.05 179.662 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.575 0 C-N-CA 123.142 2.562 . . . . 0.0 110.894 178.213 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.67 Favored 'Trans proline' 0 C--O 1.261 1.66 0 O-C-N 122.873 0.933 . . . . 0.0 113.398 -179.35 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.977 -1.702 . . . . 0.0 112.23 -177.461 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.551 -1.343 . . . . 0.0 112.036 178.714 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 124.351 2.024 . . . . 0.0 115.658 -177.699 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 116.0 24.05 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.139 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.98 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 119.422 1.01 . . . . 0.0 109.972 -177.591 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.147 1.529 . . . . 0.0 111.876 -177.535 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.521 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.94 19.65 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.302 -2.227 . . . . 0.0 110.758 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.57 60.94 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 128.374 2.892 . . . . 0.0 117.505 -179.505 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.655 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.58 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.041 -175.884 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.01 36.72 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.074 1.484 . . . . 0.0 109.999 -177.765 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.16 29.71 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.803 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.85 85.22 Favored Glycine 0 CA--C 1.492 -1.344 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.303 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.028 -1.866 . . . . 0.0 108.024 176.478 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.54 11.68 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.117 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.24 79.23 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.162 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.223 -179.511 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.28 70.54 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.452 1.12 . . . . 0.0 110.715 179.73 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.66 51.52 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.914 179.353 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.39 18.49 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.579 1.99 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.138 -2.363 . . . . 0.0 106.184 175.815 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.05 2.094 . . . . 0.0 109.56 -176.856 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 143.03 26.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.186 1.47 . . . . 0.0 109.26 -176.911 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.395 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 179.483 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.75 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.67 52.11 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.983 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.656 -2.592 . . . . 0.0 105.731 175.002 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.37 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.461 2.976 . . . . 0.0 105.885 177.923 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.767 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.532 176.566 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.125 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 178.462 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.36 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -95.17 -17.21 21.96 Favored 'General case' 0 C--O 1.273 2.307 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.502 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . 60.78 144.5 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 O-C-N 125.819 1.949 . . . . 0.0 109.816 -179.988 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -158.67 157.49 31.92 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 113.8 -1.545 . . . . 0.0 108.83 -179.32 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.2 93.08 0.09 OUTLIER Glycine 0 C--O 1.243 0.696 0 CA-C-N 114.671 -1.149 . . . . 0.0 115.091 -179.43 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.488 0 CA-C-O 116.362 -2.354 . . . . 0.0 108.353 179.323 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.936 2.648 . . . . 0.0 108.93 178.294 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 173.368 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.63 1 O-C-N 130.479 4.862 . . . . 0.0 108.773 179.585 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.406 -3.187 . . . . 0.0 105.512 175.79 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.51 41.25 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.071 -178.179 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.72 8.4 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -6.97 49.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.023 0.827 . . . . 0.0 112.612 -177.964 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.758 -2.377 . . . . 0.0 111.989 179.962 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.52 80.33 Favored Glycine 0 C--N 1.297 -1.629 0 O-C-N 120.095 -1.628 . . . . 0.0 116.141 179.745 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.964 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.543 2.402 . . . . 0.0 105.998 176.159 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 127.552 3.033 . . . . 0.0 109.086 179.615 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.76 36.73 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 117.288 -1.765 . . . . 0.0 108.281 178.122 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.06 44.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.449 -179.191 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.203 4.065 . . . . 0.0 103.587 174.003 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.684 3.115 . . . . 0.0 111.274 -177.937 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.207 -2.27 . . . . 0.0 106.341 174.705 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 111.972 177.684 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.916 -177.522 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 175.734 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.29 77.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 127.232 2.832 . . . . 0.0 110.372 175.803 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.48 79.14 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.367 -0.833 . . . . 0.0 110.734 176.979 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.4 87.15 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 124.349 1.06 . . . . 0.0 111.526 -179.625 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.45 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.06 1.475 . . . . 0.0 109.273 178.532 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.84 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.802 -179.751 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.07 87.35 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.978 0.354 . . . . 0.0 111.227 176.841 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.28 86.94 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 120.401 -1.437 . . . . 0.0 110.795 176.024 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.928 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.6 79.23 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.492 2.568 . . . . 0.0 109.007 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.38 -41.83 66.28 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.734 179.137 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.64 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.34 8.07 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.522 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.244 0.791 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.05 136.97 79.83 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.189 2.593 . . . . 0.0 110.892 178.187 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.65 Favored 'Trans proline' 0 C--O 1.262 1.698 0 C-N-CA 120.672 0.915 . . . . 0.0 113.37 -179.344 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 119.984 -1.697 . . . . 0.0 112.204 -177.437 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.534 -1.354 . . . . 0.0 112.043 178.678 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.76 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.647 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.88 Favored 'General case' 0 C--O 1.296 3.514 0 N-CA-C 104.91 -2.256 . . . . 0.0 104.91 172.115 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.485 1.039 . . . . 0.0 109.962 -177.547 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.119 1.512 . . . . 0.0 111.913 -177.491 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.17 129.72 19.05 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.482 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.98 19.4 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.289 -2.232 . . . . 0.0 110.718 177.349 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.59 60.97 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.349 2.88 . . . . 0.0 117.451 -179.555 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.69 46.29 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.66 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.533 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.006 -175.864 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.98 36.73 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.091 1.495 . . . . 0.0 109.977 -177.732 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.19 29.77 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.81 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.29 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.372 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.004 -1.88 . . . . 0.0 107.988 176.514 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.151 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.144 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.169 -179.464 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.25 70.65 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.462 1.125 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.66 51.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.709 -1.139 . . . . 0.0 113.01 179.268 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.35 18.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.528 1.967 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.097 -2.382 . . . . 0.0 106.183 175.784 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.151 2.157 . . . . 0.0 109.545 -176.861 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -54.73 143.02 26.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.248 1.499 . . . . 0.0 109.288 -176.941 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.14 10.62 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 179.515 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.54 34.52 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.795 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.7 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.9 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.703 -2.57 . . . . 0.0 105.729 174.998 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.181 0 O-C-N 127.418 2.949 . . . . 0.0 105.873 177.929 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.781 0 CA-C-O 117.598 -1.191 . . . . 0.0 111.526 176.577 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.076 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 178.479 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.552 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -122.59 140.05 53.24 Favored 'General case' 0 C--O 1.272 2.257 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.492 179.107 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -77.96 151.29 33.74 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 125.813 1.946 . . . . 0.0 109.813 -179.781 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -60.73 -42.72 97.89 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.759 -1.564 . . . . 0.0 108.865 -179.431 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 73' ' ' LEU . . . 89.19 179.41 45.51 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 114.667 -1.151 . . . . 0.0 115.053 -179.502 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 CA-C-O 116.394 -2.337 . . . . 0.0 108.355 179.256 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.22 31.76 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.959 2.662 . . . . 0.0 108.935 178.313 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.378 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.684 1 O-C-N 130.442 4.839 . . . . 0.0 108.766 179.58 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.497 175.843 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.52 41.29 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.379 4.174 . . . . 0.0 108.057 -178.174 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.03 49.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.023 0.827 . . . . 0.0 112.621 -177.976 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.98 30.27 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.957 179.957 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.49 80.32 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.121 -1.612 . . . . 0.0 116.132 179.711 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.06 34.48 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.02 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.8 55.39 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.621 2.451 . . . . 0.0 106.011 176.166 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.621 3.075 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.74 36.65 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.192 178.143 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.378 -2.248 . . . . 0.0 108.437 -179.193 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.188 4.055 . . . . 0.0 103.527 174.001 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.632 3.082 . . . . 0.0 111.232 -177.937 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.76 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.284 174.729 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.42 39.76 Favored 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 122.502 2.135 . . . . 0.0 111.959 177.682 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.886 -177.504 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.89 -179.043 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.42 21.19 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.232 2.832 . . . . 0.0 110.334 175.776 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.349 -0.844 . . . . 0.0 110.755 176.993 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.39 86.99 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.323 1.049 . . . . 0.0 111.521 -179.651 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.4 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 125.098 1.499 . . . . 0.0 109.305 178.547 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.93 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 117.973 0.351 . . . . 0.0 111.226 176.884 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 87.01 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.383 -1.448 . . . . 0.0 110.819 176.014 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.869 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.58 79.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 125.552 2.596 . . . . 0.0 108.995 179.487 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.54 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 113.648 -1.614 . . . . 0.0 111.75 179.179 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.41 17.93 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -175.638 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.08 2.673 . . . . 0.0 113.929 179.833 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 5.39 90.09 Favored Glycine 0 CA--C 1.478 -2.267 0 N-CA-C 118.852 2.301 . . . . 0.0 118.852 176.511 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.79 124.84 83.22 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.829 -1.148 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.566 0 C-N-CA 123.126 2.551 . . . . 0.0 110.909 178.229 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.19 92.82 Favored 'Trans proline' 0 C--O 1.262 1.685 0 C-N-CA 120.713 0.942 . . . . 0.0 113.409 -179.351 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 120.001 -1.687 . . . . 0.0 112.232 -177.422 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.79 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.455 -1.403 . . . . 0.0 112.072 178.699 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.26 1.981 . . . . 0.0 115.626 -177.637 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.93 23.96 Favored 'General case' 0 C--O 1.296 3.51 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 172.082 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.417 1.008 . . . . 0.0 109.983 -177.591 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 125.14 1.525 . . . . 0.0 111.881 -177.512 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.5 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.51 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.744 177.35 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.6 60.94 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.352 2.882 . . . . 0.0 117.51 -179.515 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 177.73 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 174.539 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.32 37.51 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.02 -175.882 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.02 36.68 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.092 1.495 . . . . 0.0 109.937 -177.744 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.18 29.89 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.833 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.492 -1.378 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.315 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.57 16.99 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 119.967 -1.902 . . . . 0.0 107.981 176.487 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.094 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.24 79.29 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.161 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.154 -179.482 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.34 70.62 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.474 1.131 . . . . 0.0 110.737 179.724 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.695 -1.145 . . . . 0.0 113.016 179.262 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.3 18.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.532 1.969 . . . . 0.0 111.195 179.857 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.15 175.832 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.12 2.138 . . . . 0.0 109.497 -176.827 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 39.2 ttmt -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.199 1.476 . . . . 0.0 109.271 -176.92 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.19 10.6 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 179.42 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.765 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.95 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.74 -2.552 . . . . 0.0 105.739 174.985 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.79 46.42 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.398 2.936 . . . . 0.0 105.905 177.94 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.779 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.509 176.587 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.94 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.128 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.183 0.516 . . . . 0.0 109.815 178.486 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.552 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 132.13 41.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . 179.1 173.84 0.75 Allowed 'General case' 0 C--O 1.273 2.294 0 CA-C-O 113.363 -3.208 . . . . 0.0 105.531 174.262 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 74.69 79.95 0.11 Allowed 'General case' 0 C--N 1.292 -1.912 0 O-C-N 125.807 1.942 . . . . 0.0 109.871 -178.703 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 75' ' ' GLY . . . -152.82 -12.31 0.16 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 113.798 -1.546 . . . . 0.0 108.844 -179.362 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . -93.46 -170.51 39.21 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 114.708 -1.133 . . . . 0.0 115.126 -179.404 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.407 179.198 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 126.936 2.648 . . . . 0.0 108.886 178.31 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.379 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.26 49.42 Favored 'General case' 0 N--CA 1.512 2.629 1 O-C-N 130.469 4.855 . . . . 0.0 108.802 179.518 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 113.447 -3.168 . . . . 0.0 105.476 175.824 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.422 4.201 . . . . 0.0 108.064 -178.164 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.89 49.24 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.004 0.815 . . . . 0.0 112.581 -177.903 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 115.821 -2.352 . . . . 0.0 111.991 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.53 80.3 Favored Glycine 0 C--N 1.298 -1.579 0 O-C-N 120.133 -1.604 . . . . 0.0 116.108 179.76 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.969 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.607 2.442 . . . . 0.0 106.013 176.123 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 127.616 3.073 . . . . 0.0 109.077 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.6 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.253 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.27 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.39 -2.243 . . . . 0.0 108.414 -179.165 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.46 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.193 4.058 . . . . 0.0 103.625 173.951 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.697 3.123 . . . . 0.0 111.206 -177.876 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.332 174.676 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.45 39.17 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.591 2.194 . . . . 0.0 111.963 177.689 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.868 -177.493 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.345 -1.742 . . . . 0.0 109.878 -179.089 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.43 21.24 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.699 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.221 2.826 . . . . 0.0 110.374 175.779 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.292 -0.88 . . . . 0.0 110.773 176.957 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.3 1.04 . . . . 0.0 111.532 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.066 1.479 . . . . 0.0 109.352 178.484 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.96 83.8 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.08 87.32 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 118.048 0.385 . . . . 0.0 111.198 176.903 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.98 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 120.368 -1.458 . . . . 0.0 110.793 176.015 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.925 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.55 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 125.487 2.565 . . . . 0.0 109.013 179.454 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.68 66.71 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.746 179.155 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.46 17.94 Favored 'General case' 0 C--O 1.279 2.639 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.696 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.122 2.692 . . . . 0.0 113.973 179.792 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.42 90.1 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.54 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.021 179.708 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.57 Favored 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 123.191 2.594 . . . . 0.0 110.9 178.211 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.18 92.8 Favored 'Trans proline' 0 C--O 1.263 1.731 0 O-C-N 122.906 0.951 . . . . 0.0 113.394 -179.362 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.976 -1.702 . . . . 0.0 112.225 -177.445 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.84 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.477 -1.39 . . . . 0.0 112.014 178.694 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.378 2.037 . . . . 0.0 115.606 -177.621 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.04 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 172.119 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.68 130.27 51.13 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.454 1.024 . . . . 0.0 109.997 -177.508 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 125.23 1.581 . . . . 0.0 111.912 -177.486 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.543 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.06 19.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.774 177.399 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.59 60.85 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.319 2.866 . . . . 0.0 117.505 -179.502 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.675 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.796 -2.668 . . . . 0.0 103.796 174.564 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.728 -1.13 . . . . 0.0 110.023 -175.883 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.07 1.481 . . . . 0.0 109.938 -177.69 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.68 Favored 'General case' 0 C--O 1.266 1.931 0 N-CA-C 120.711 3.597 . . . . 0.0 120.711 -175.827 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 -177.367 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.54 17.03 Favored 'General case' 0 C--O 1.25 1.086 0 O-C-N 119.952 -1.91 . . . . 0.0 108.032 176.487 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.134 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.24 79.25 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.162 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.63 70.8 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.176 -179.48 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.52 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.498 1.142 . . . . 0.0 110.775 179.698 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.65 51.5 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.007 179.271 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.43 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 121.549 1.977 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.164 175.831 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.111 2.132 . . . . 0.0 109.535 -176.868 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -54.74 143.06 26.47 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 123.208 1.48 . . . . 0.0 109.272 -176.906 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.465 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 174.819 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.63 52.05 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.965 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.62 19.11 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.73 174.995 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.87 177.919 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.79 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.552 176.541 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.102 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.188 0.518 . . . . 0.0 109.85 178.4 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.446 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.583 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.84 35.98 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -87.17 36.37 0.73 Allowed 'General case' 0 C--O 1.272 2.243 0 CA-C-O 113.377 -3.202 . . . . 0.0 105.487 -179.871 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 55.66 173.3 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.929 0 O-C-N 125.83 1.956 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -72.45 149.4 44.25 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.825 -179.452 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.67 167.74 54.29 Favored Glycine 0 C--O 1.243 0.716 0 CA-C-N 114.646 -1.161 . . . . 0.0 115.124 -178.981 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.392 -2.338 . . . . 0.0 108.362 179.068 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.25 31.74 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.933 2.645 . . . . 0.0 108.914 178.347 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.396 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.24 49.44 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.457 4.848 . . . . 0.0 108.797 179.54 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.13 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.479 175.869 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.47 41.17 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.429 4.206 . . . . 0.0 108.107 -178.201 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.78 8.37 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.92 49.51 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.012 0.82 . . . . 0.0 112.595 -177.939 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.021 179.952 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.38 Favored Glycine 0 C--N 1.298 -1.559 0 O-C-N 120.186 -1.571 . . . . 0.0 116.167 179.765 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.11 34.35 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 175.011 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.585 2.428 . . . . 0.0 106.053 176.127 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 127.629 3.081 . . . . 0.0 109.037 179.666 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.229 178.094 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.02 44.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 115.391 -2.242 . . . . 0.0 108.449 -179.189 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.24 44.5 Favored 'General case' 0 N--CA 1.499 2.016 1 O-C-N 129.142 4.026 . . . . 0.0 103.581 173.981 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.63 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.7 3.125 . . . . 0.0 111.218 -177.879 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.972 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.348 174.675 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.49 39.75 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.52 2.146 . . . . 0.0 111.969 177.73 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -177.478 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.5 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.361 -1.736 . . . . 0.0 109.88 -179.043 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.72 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.197 2.81 . . . . 0.0 110.374 175.754 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.4 79.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.407 -0.808 . . . . 0.0 110.747 176.963 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.46 86.95 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.298 1.039 . . . . 0.0 111.515 -179.609 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 125.104 1.502 . . . . 0.0 109.337 178.495 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.99 83.75 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.03 87.18 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 118.012 0.369 . . . . 0.0 111.264 176.851 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.343 -1.473 . . . . 0.0 110.792 175.983 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.42 77.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.58 79.32 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.512 2.577 . . . . 0.0 109.065 179.429 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.55 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.624 -1.625 . . . . 0.0 111.712 179.135 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.42 17.98 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.673 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.12 2.691 . . . . 0.0 113.929 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.13 Favored Glycine 0 CA--C 1.477 -2.289 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.513 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.055 179.648 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.91 79.44 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.174 2.583 . . . . 0.0 110.9 178.196 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.66 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 122.858 0.925 . . . . 0.0 113.405 -179.371 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.925 -1.734 . . . . 0.0 112.2 -177.461 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.76 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.515 -1.365 . . . . 0.0 112.011 178.689 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.75 34.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 124.292 1.996 . . . . 0.0 115.631 -177.661 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.5 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.093 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.454 1.025 . . . . 0.0 110.006 -177.615 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.139 1.524 . . . . 0.0 111.925 -177.527 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.69 18.9 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.518 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.01 19.3 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.777 177.417 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.51 61.06 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.371 2.891 . . . . 0.0 117.532 -179.477 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.68 46.3 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.686 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.555 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.44 37.51 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.009 -175.859 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.082 1.489 . . . . 0.0 109.916 -177.714 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.96 85.15 Favored Glycine 0 CA--C 1.492 -1.348 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.312 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.53 17.1 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 120.051 -1.852 . . . . 0.0 108.021 176.49 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.071 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 177.187 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.131 -179.457 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.33 70.55 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.495 1.141 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.31 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.969 179.307 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.39 18.53 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.536 1.971 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.36 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.11 -2.376 . . . . 0.0 106.18 175.823 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 126.064 2.103 . . . . 0.0 109.53 -176.841 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 0.1 OUTLIER -54.71 143.05 26.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.137 1.446 . . . . 0.0 109.287 -176.908 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 179.499 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 174.791 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.22 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.968 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.6 19.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.658 -2.591 . . . . 0.0 105.751 175.008 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.38 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 127.426 2.954 . . . . 0.0 105.888 177.902 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.515 176.59 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.606 -2.739 . . . . 0.0 103.606 175.135 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 178.499 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.445 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' O ' ' H81' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 73' ' ' LEU . . . -96.06 139.07 32.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -54.84 -4.91 0.08 Allowed 'General case' 0 C--O 1.273 2.329 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.526 -179.685 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 81.64 75.43 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.764 1.915 . . . . 0.0 109.859 -179.756 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 44.02 -110.53 0.18 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.834 -1.53 . . . . 0.0 108.85 -179.451 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.16 -171.63 35.12 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.05 -179.492 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.498 0 CA-C-O 116.393 -2.337 . . . . 0.0 108.347 179.22 . . . . . . . . 0 0 . 1 . 057 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 126.963 2.664 . . . . 0.0 108.952 178.326 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 162.99 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.386 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.2 49.47 Favored 'General case' 0 N--CA 1.511 2.618 1 O-C-N 130.451 4.844 . . . . 0.0 108.798 179.575 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.506 175.825 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.5 41.18 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.382 4.176 . . . . 0.0 108.057 -178.191 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.96 49.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.053 0.845 . . . . 0.0 112.606 -177.928 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.974 179.918 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.43 80.32 Favored Glycine 0 C--N 1.297 -1.601 0 O-C-N 120.136 -1.602 . . . . 0.0 116.143 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.01 34.47 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 174.972 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.77 55.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.595 2.435 . . . . 0.0 106.024 176.142 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 127.628 3.08 . . . . 0.0 109.076 179.656 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.6 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.226 178.153 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.05 44.22 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 115.365 -2.255 . . . . 0.0 108.475 -179.207 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.4 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.176 4.048 . . . . 0.0 103.59 174.0 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.67 3.106 . . . . 0.0 111.256 -177.911 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.06 144.51 37.82 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.309 174.701 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.5 39.27 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.516 2.144 . . . . 0.0 111.944 177.712 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.901 -177.511 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.53 47.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.897 -179.038 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.46 21.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.681 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.27 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.186 2.804 . . . . 0.0 110.401 175.734 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.04 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.341 -0.85 . . . . 0.0 110.72 176.999 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.49 87.06 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.301 1.04 . . . . 0.0 111.494 -179.594 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.069 1.481 . . . . 0.0 109.297 178.511 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.92 83.61 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.783 -179.764 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.33 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-N 117.965 0.348 . . . . 0.0 111.177 176.884 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.18 -37.4 87.34 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.347 -1.471 . . . . 0.0 110.814 176.043 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.58 79.49 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.515 2.579 . . . . 0.0 108.982 179.446 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.68 66.63 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.772 179.14 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.691 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 -175.677 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.149 2.704 . . . . 0.0 113.961 179.802 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.478 -2.224 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.779 -1.169 . . . . 0.0 111.003 179.712 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.164 2.576 . . . . 0.0 110.906 178.223 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.14 92.61 Favored 'Trans proline' 0 C--O 1.262 1.696 0 C-N-CA 120.695 0.93 . . . . 0.0 113.417 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.926 -1.734 . . . . 0.0 112.218 -177.44 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.46 28.99 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.494 -1.379 . . . . 0.0 112.01 178.778 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.342 2.02 . . . . 0.0 115.584 -177.596 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.296 3.546 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.98 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.482 1.037 . . . . 0.0 110.016 -177.568 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.81 72.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.129 1.518 . . . . 0.0 111.935 -177.529 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.73 19.02 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.522 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.11 19.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 112.227 -2.261 . . . . 0.0 110.745 177.359 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.62 60.86 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 128.387 2.898 . . . . 0.0 117.487 -179.515 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.664 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.54 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.36 37.52 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.028 -175.909 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.72 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.031 1.457 . . . . 0.0 109.931 -177.749 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.17 29.62 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.9 85.22 Favored Glycine 0 CA--C 1.491 -1.438 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 119.976 -1.897 . . . . 0.0 108.005 176.527 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 177.127 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.27 79.47 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.151 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.81 -29.6 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.273 -1.771 . . . . 0.0 112.191 -179.534 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.31 70.6 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.528 1.156 . . . . 0.0 110.749 179.753 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.67 51.49 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.264 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.59 1.995 . . . . 0.0 111.19 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.212 175.77 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.107 2.13 . . . . 0.0 109.5 -176.831 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.61 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.163 1.458 . . . . 0.0 109.286 -176.881 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.24 10.67 Favored 'General case' 0 C--O 1.255 1.387 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 179.486 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.53 34.49 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.77 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.72 52.21 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.93 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.64 19.13 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.75 -2.548 . . . . 0.0 105.695 175.034 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.39 Favored 'General case' 0 C--N 1.286 -2.174 0 O-C-N 127.391 2.932 . . . . 0.0 105.877 177.929 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.579 -1.201 . . . . 0.0 111.537 176.596 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.149 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.161 0.505 . . . . 0.0 109.833 178.442 . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.479 ' H81' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.457 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.0 35.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -69.66 -17.63 63.51 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.501 179.436 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 60.12 142.59 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.913 0 O-C-N 125.805 1.94 . . . . 0.0 109.825 -179.694 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . 60.25 127.37 0.01 OUTLIER 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.86 -179.467 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.76 -169.68 46.13 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.646 -1.161 . . . . 0.0 115.071 -179.341 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.336 -2.369 . . . . 0.0 108.396 179.32 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 127.009 2.693 . . . . 0.0 108.912 178.283 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 173.389 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.57 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.542 175.796 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.2 127.51 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.156 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.37 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.801 -1.095 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.95 49.58 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.092 0.87 . . . . 0.0 112.597 -177.979 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.006 179.955 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.42 80.36 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.129 -1.607 . . . . 0.0 116.169 179.777 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.06 34.42 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 174.994 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 126.648 2.467 . . . . 0.0 105.964 176.167 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 127.569 3.043 . . . . 0.0 109.066 179.595 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.24 178.096 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.03 44.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.332 -2.27 . . . . 0.0 108.394 -179.137 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.259 4.1 . . . . 0.0 103.53 174.031 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.68 15.75 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.657 3.098 . . . . 0.0 111.21 -177.912 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.54 37.84 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.56 2.173 . . . . 0.0 111.981 177.689 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.17 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.86 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.45 47.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.839 -179.021 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.72 160.4 21.3 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.668 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 O-C-N 127.167 2.792 . . . . 0.0 110.398 175.797 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.46 78.99 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.383 -0.823 . . . . 0.0 110.746 176.969 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.47 87.13 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.299 1.04 . . . . 0.0 111.512 -179.641 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.085 1.491 . . . . 0.0 109.339 178.5 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.02 83.81 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.746 -179.748 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.21 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.013 0.369 . . . . 0.0 111.268 176.869 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.424 -1.423 . . . . 0.0 110.819 176.01 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.55 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.93 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.48 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.572 2.606 . . . . 0.0 109.048 179.485 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.761 179.122 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.64 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.36 8.09 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 123.097 2.68 . . . . 0.0 113.99 179.814 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.279 0 N-CA-C 118.918 2.327 . . . . 0.0 118.918 176.553 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.35 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.97 79.89 Favored 'Trans proline' 0 C--O 1.259 1.559 0 C-N-CA 123.133 2.556 . . . . 0.0 110.901 178.204 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.18 92.86 Favored 'Trans proline' 0 C--O 1.263 1.725 0 O-C-N 122.891 0.943 . . . . 0.0 113.411 -179.397 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.895 -1.753 . . . . 0.0 112.197 -177.412 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.92 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.516 -1.365 . . . . 0.0 112.048 178.735 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.334 2.016 . . . . 0.0 115.608 -177.674 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 172.11 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.32 51.08 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.511 1.05 . . . . 0.0 110.003 -177.577 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.249 1.593 . . . . 0.0 111.895 -177.482 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.385 -2.079 . . . . 0.0 105.385 177.502 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.243 -2.253 . . . . 0.0 110.782 177.37 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.96 Favored Glycine 0 N--CA 1.433 -1.526 0 C-N-CA 128.342 2.877 . . . . 0.0 117.488 -179.522 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.67 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 174.52 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.051 -175.894 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.71 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.026 1.454 . . . . 0.0 109.956 -177.731 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.8 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.794 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.87 85.27 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.334 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.54 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.99 -1.888 . . . . 0.0 108.034 176.506 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.165 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.1 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.175 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.18 -179.473 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.61 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 122.474 1.13 . . . . 0.0 110.718 179.75 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.56 51.69 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.978 179.288 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.36 18.34 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 121.581 1.991 . . . . 0.0 111.2 179.895 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.157 175.824 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.145 2.153 . . . . 0.0 109.502 -176.833 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 24.9 ttpp -54.81 143.07 26.79 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 123.253 1.502 . . . . 0.0 109.283 -176.948 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 179.514 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.796 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.29 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.964 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.757 174.951 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.41 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.397 2.936 . . . . 0.0 105.941 177.932 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.645 -1.169 . . . . 0.0 111.477 176.648 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.91 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.11 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.169 0.509 . . . . 0.0 109.829 178.468 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.457 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.591 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 133.7 39.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 159.76 -163.3 0.0 OUTLIER 'General case' 0 C--O 1.273 2.299 0 CA-C-O 113.379 -3.2 . . . . 0.0 105.524 174.365 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . 76.6 40.14 0.23 Allowed 'General case' 0 C--N 1.292 -1.91 0 O-C-N 125.825 1.953 . . . . 0.0 109.849 -178.997 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -132.43 128.01 36.58 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 113.761 -1.563 . . . . 0.0 108.841 -179.232 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -162.13 175.94 38.57 Favored Glycine 0 C--O 1.243 0.683 0 CA-C-N 114.64 -1.163 . . . . 0.0 115.07 -179.646 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.46 0 CA-C-O 116.326 -2.375 . . . . 0.0 108.407 179.043 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 126.987 2.679 . . . . 0.0 108.906 178.333 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 173.34 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.22 49.46 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.425 4.828 . . . . 0.0 108.78 179.574 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.456 175.849 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.54 41.29 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.379 4.174 . . . . 0.0 108.082 -178.201 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.71 8.41 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.99 49.79 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.069 0.856 . . . . 0.0 112.596 -177.95 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.991 179.927 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.118 -1.613 . . . . 0.0 116.169 179.786 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.44 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 174.977 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.677 2.486 . . . . 0.0 106.018 176.135 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 127.608 3.068 . . . . 0.0 109.017 179.699 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.8 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.266 -1.774 . . . . 0.0 108.261 178.085 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.418 -179.189 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.47 Favored 'General case' 0 N--CA 1.498 1.965 1 O-C-N 129.175 4.047 . . . . 0.0 103.578 174.014 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.748 3.155 . . . . 0.0 111.206 -177.886 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.162 -2.29 . . . . 0.0 106.374 174.629 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.35 Favored 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 122.537 2.158 . . . . 0.0 111.96 177.747 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.951 -177.559 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.46 47.56 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.34 -1.744 . . . . 0.0 109.854 -179.045 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.42 21.25 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.702 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 O-C-N 127.184 2.803 . . . . 0.0 110.368 175.829 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.385 -0.822 . . . . 0.0 110.744 176.995 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.94 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.329 1.052 . . . . 0.0 111.513 -179.65 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.108 1.505 . . . . 0.0 109.292 178.539 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.69 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 -179.741 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.99 87.03 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.001 0.364 . . . . 0.0 111.209 176.891 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 120.355 -1.466 . . . . 0.0 110.803 176.025 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.49 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.61 79.26 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.475 2.559 . . . . 0.0 109.019 179.476 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.43 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.745 179.161 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.93 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.686 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.086 2.676 . . . . 0.0 113.972 179.838 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.28 5.29 90.14 Favored Glycine 0 CA--C 1.478 -2.278 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.55 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.29 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.791 -1.163 . . . . 0.0 111.048 179.662 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.89 79.33 Favored 'Trans proline' 0 C--O 1.259 1.545 0 C-N-CA 123.097 2.531 . . . . 0.0 110.928 178.228 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.699 0 O-C-N 122.84 0.916 . . . . 0.0 113.431 -179.323 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.96 -1.712 . . . . 0.0 112.225 -177.444 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.48 28.92 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.472 -1.392 . . . . 0.0 112.03 178.719 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.295 1.998 . . . . 0.0 115.669 -177.726 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.95 23.98 Favored 'General case' 0 C--O 1.296 3.504 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.094 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.25 51.0 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.435 1.016 . . . . 0.0 110.032 -177.573 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.8 72.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 O-C-N 125.117 1.511 . . . . 0.0 111.932 -177.503 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.734 177.364 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.63 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.375 2.893 . . . . 0.0 117.536 -179.5 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.684 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 174.565 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.41 37.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.046 -175.884 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.96 36.8 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 125.054 1.471 . . . . 0.0 109.987 -177.759 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.16 -42.29 29.16 Favored 'General case' 0 C--O 1.266 1.93 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.838 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.9 85.26 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.287 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.6 17.02 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.993 -1.886 . . . . 0.0 107.978 176.506 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.137 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.22 79.38 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.21 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.61 70.78 Favored 'General case' 0 C--O 1.267 2.022 0 C-N-CA 117.309 -1.756 . . . . 0.0 112.18 -179.477 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.57 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.486 1.136 . . . . 0.0 110.701 179.809 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.967 179.294 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.37 18.62 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.563 1.983 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.066 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.163 175.801 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 126.077 2.11 . . . . 0.0 109.534 -176.868 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 27.3 ttpp -54.77 143.06 26.65 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.197 1.475 . . . . 0.0 109.221 -176.894 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.508 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.95 19.18 10.63 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 179.443 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.802 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.66 52.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.948 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.71 175.001 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.73 46.54 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.413 2.946 . . . . 0.0 105.88 177.951 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.581 -1.199 . . . . 0.0 111.545 176.529 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.96 28.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.154 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.215 0.531 . . . . 0.0 109.817 178.457 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.591 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 134.17 39.42 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . 161.06 -164.78 0.0 OUTLIER 'General case' 0 C--O 1.272 2.288 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.535 179.907 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . 72.61 13.97 5.21 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 125.776 1.923 . . . . 0.0 109.802 -179.673 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' H ' ' H ' ' A' ' 73' ' ' LEU . . . -75.97 155.86 34.66 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 113.737 -1.574 . . . . 0.0 108.827 -179.445 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.12 172.45 54.72 Favored Glycine 0 C--O 1.243 0.69 0 CA-C-N 114.633 -1.167 . . . . 0.0 115.068 -179.434 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 CA-C-O 116.437 -2.313 . . . . 0.0 108.315 179.241 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.924 2.64 . . . . 0.0 108.901 178.294 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.0 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 173.366 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.17 49.51 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.463 4.852 . . . . 0.0 108.816 179.559 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.534 175.848 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.45 41.14 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.398 4.186 . . . . 0.0 108.081 -178.176 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.79 8.36 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.9 49.39 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.042 0.839 . . . . 0.0 112.573 -177.957 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.828 -2.349 . . . . 0.0 111.98 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.33 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.125 -1.61 . . . . 0.0 116.13 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.989 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.621 2.451 . . . . 0.0 106.003 176.155 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.554 3.034 . . . . 0.0 109.002 179.648 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.225 -1.79 . . . . 0.0 108.258 178.072 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.372 -2.252 . . . . 0.0 108.405 -179.151 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.18 44.34 Favored 'General case' 0 N--CA 1.498 1.972 1 O-C-N 129.169 4.043 . . . . 0.0 103.579 173.976 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.59 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.747 3.154 . . . . 0.0 111.215 -177.928 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.47 37.55 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.113 -2.312 . . . . 0.0 106.333 174.682 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 122.52 2.147 . . . . 0.0 111.968 177.725 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.53 47.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.873 -179.037 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.706 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.3 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.179 2.799 . . . . 0.0 110.347 175.753 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.48 78.94 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.685 177.04 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.16 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.301 1.041 . . . . 0.0 111.542 -179.616 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.45 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.042 1.464 . . . . 0.0 109.325 178.472 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.83 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.788 -179.78 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.06 87.24 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 118.003 0.365 . . . . 0.0 111.205 176.863 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 120.449 -1.407 . . . . 0.0 110.802 176.034 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.04 -39.4 77.23 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.64 79.12 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.51 2.576 . . . . 0.0 108.978 179.501 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.42 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.763 179.134 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.28 2.67 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.673 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.185 2.72 . . . . 0.0 113.957 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.34 90.15 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.859 2.304 . . . . 0.0 118.859 176.501 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.88 83.36 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.821 -1.152 . . . . 0.0 110.986 179.706 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.85 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.193 2.596 . . . . 0.0 110.878 178.18 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.31 -32.1 92.81 Favored 'Trans proline' 0 C--O 1.262 1.682 0 C-N-CA 120.67 0.914 . . . . 0.0 113.428 -179.356 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.952 -1.718 . . . . 0.0 112.18 -177.447 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.48 28.9 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.493 -1.38 . . . . 0.0 112.069 178.684 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.67 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.312 2.006 . . . . 0.0 115.652 -177.659 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.98 24.03 Favored 'General case' 0 C--O 1.295 3.497 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 172.095 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.441 1.019 . . . . 0.0 109.961 -177.533 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.168 1.542 . . . . 0.0 111.951 -177.537 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 177.53 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.96 19.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.785 177.374 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.55 61.18 Favored Glycine 0 N--CA 1.432 -1.574 0 C-N-CA 128.399 2.904 . . . . 0.0 117.453 -179.512 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.706 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.37 37.52 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.702 -1.142 . . . . 0.0 110.053 -175.907 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 125.094 1.496 . . . . 0.0 110.006 -177.726 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.28 29.35 Favored 'General case' 0 C--O 1.266 1.921 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.801 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.295 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.52 17.07 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.965 -1.903 . . . . 0.0 107.974 176.525 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.104 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.35 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.184 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.82 -29.7 70.87 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.341 -1.744 . . . . 0.0 112.151 -179.5 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.46 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.422 1.106 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.66 51.46 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 117.726 -1.13 . . . . 0.0 113.021 179.272 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.5 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.531 1.969 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.146 175.863 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.086 2.116 . . . . 0.0 109.551 -176.873 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -54.73 143.0 26.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.231 1.491 . . . . 0.0 109.269 -176.933 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.489 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.829 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.987 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.65 19.09 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 114.684 -2.579 . . . . 0.0 105.757 174.981 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.43 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.419 2.949 . . . . 0.0 105.892 177.917 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.787 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.498 176.593 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.112 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.181 0.515 . . . . 0.0 109.823 178.472 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.46 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.504 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 0.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.54 37.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -96.28 132.24 41.96 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.492 -178.024 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -71.38 137.75 48.63 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.847 1.967 . . . . 0.0 109.831 179.811 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -58.97 134.5 57.02 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.846 -179.509 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.41 173.72 43.15 Favored Glycine 0 C--O 1.243 0.661 0 CA-C-N 114.66 -1.155 . . . . 0.0 115.087 -179.359 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 CA-C-O 116.408 -2.329 . . . . 0.0 108.434 179.431 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 127.027 2.705 . . . . 0.0 108.942 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 173.438 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.65 1 O-C-N 130.454 4.846 . . . . 0.0 108.787 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.533 175.818 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.5 41.2 Favored 'General case' 0 N--CA 1.504 2.23 1 O-C-N 129.387 4.179 . . . . 0.0 108.045 -178.135 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.027 0.83 . . . . 0.0 112.561 -177.917 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.3 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.994 179.971 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.52 80.3 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.196 -1.565 . . . . 0.0 116.141 179.803 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 174.96 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.599 2.437 . . . . 0.0 105.999 176.185 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.586 3.054 . . . . 0.0 109.041 179.67 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 117.205 -1.798 . . . . 0.0 108.172 178.17 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.07 44.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.425 -179.217 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.22 44.43 Favored 'General case' 0 N--CA 1.499 1.98 1 O-C-N 129.207 4.067 . . . . 0.0 103.561 174.032 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.66 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.669 3.105 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.55 37.85 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 112.157 -2.292 . . . . 0.0 106.338 174.697 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.43 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.584 2.189 . . . . 0.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.909 -177.524 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.46 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.879 -179.024 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.38 21.29 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 175.753 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.217 2.823 . . . . 0.0 110.362 175.81 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.14 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.342 -0.849 . . . . 0.0 110.75 176.941 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.354 1.062 . . . . 0.0 111.518 -179.655 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.39 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.123 1.514 . . . . 0.0 109.291 178.543 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.88 -37.9 83.76 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.775 -179.797 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.02 87.03 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 118.02 0.373 . . . . 0.0 111.217 176.894 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.39 87.29 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.446 -1.409 . . . . 0.0 110.802 176.025 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.51 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.12 -48.59 79.45 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.464 2.554 . . . . 0.0 109.006 179.494 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.71 66.68 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.701 179.148 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.48 17.96 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.662 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.29 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.149 2.704 . . . . 0.0 113.969 179.779 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.508 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.01 179.706 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.26 1.585 0 C-N-CA 123.187 2.591 . . . . 0.0 110.953 178.206 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.79 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.909 0.952 . . . . 0.0 113.409 -179.354 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 120.02 -1.675 . . . . 0.0 112.183 -177.415 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.78 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.567 -1.333 . . . . 0.0 112.011 178.715 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.301 2.0 . . . . 0.0 115.595 -177.635 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.97 24.03 Favored 'General case' 0 C--O 1.296 3.507 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.119 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.04 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 119.443 1.019 . . . . 0.0 109.983 -177.563 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.139 1.524 . . . . 0.0 111.927 -177.542 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.93 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.518 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.229 -2.259 . . . . 0.0 110.788 177.369 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.48 61.03 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.352 2.882 . . . . 0.0 117.536 -179.464 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.717 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.81 130.25 34.61 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.54 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.017 -175.875 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 125.076 1.485 . . . . 0.0 109.958 -177.725 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.705 3.594 . . . . 0.0 120.705 -175.856 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.88 85.2 Favored Glycine 0 CA--C 1.491 -1.411 0 N-CA-C 116.097 1.199 . . . . 0.0 116.097 -177.335 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.55 17.07 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.05 -1.853 . . . . 0.0 107.997 176.533 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.266 -1.773 . . . . 0.0 112.2 -179.501 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.38 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.443 1.116 . . . . 0.0 110.685 179.793 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.71 51.32 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.711 -1.138 . . . . 0.0 112.971 179.311 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.28 18.5 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 121.578 1.99 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.063 0 CA-C-O 115.139 -2.363 . . . . 0.0 106.174 175.828 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.07 2.106 . . . . 0.0 109.57 -176.879 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 63' ' ' LYS . 15.1 ptpt -54.67 143.01 26.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 123.168 1.461 . . . . 0.0 109.275 -176.949 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.23 10.67 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.441 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.51 34.55 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.771 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.952 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.65 19.12 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.745 174.999 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.394 2.934 . . . . 0.0 105.876 177.969 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.798 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.492 176.611 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.95 28.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.133 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 178.434 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 101' ' ' MTN . . . . . 0.579 ' S1 ' ' H71' ' A' ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.451 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.73 38.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 129.91 161.44 0.0 OUTLIER 'General case' 0 C--O 1.273 2.303 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.498 -179.032 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . -162.95 -40.78 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 125.795 1.935 . . . . 0.0 109.838 -179.873 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -157.78 152.33 24.95 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.847 -179.236 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.68 -167.03 37.78 Favored Glycine 0 C--O 1.243 0.686 0 CA-C-N 114.626 -1.17 . . . . 0.0 115.066 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 CA-C-O 116.411 -2.327 . . . . 0.0 108.341 179.127 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.11 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.977 2.673 . . . . 0.0 108.9 178.323 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.393 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.98 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.419 4.824 . . . . 0.0 108.805 179.563 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.513 175.826 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.237 1 O-C-N 129.372 4.17 . . . . 0.0 108.081 -178.159 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.92 49.41 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.002 0.814 . . . . 0.0 112.572 -177.921 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.03 30.14 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.837 -2.345 . . . . 0.0 112.026 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.53 80.37 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.156 -1.59 . . . . 0.0 116.158 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.05 34.47 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.952 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.575 2.422 . . . . 0.0 105.993 176.165 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.93 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 127.599 3.062 . . . . 0.0 109.027 179.654 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.8 36.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.22 178.106 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.337 -2.268 . . . . 0.0 108.442 -179.167 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.21 44.43 Favored 'General case' 0 N--CA 1.498 1.964 1 O-C-N 129.193 4.058 . . . . 0.0 103.557 173.995 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 O-C-N 127.742 3.151 . . . . 0.0 111.255 -177.904 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.185 -2.28 . . . . 0.0 106.286 174.705 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.45 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.514 2.143 . . . . 0.0 111.933 177.719 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.873 -177.478 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.52 47.52 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.844 -179.016 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 O-C-N 127.166 2.791 . . . . 0.0 110.387 175.772 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.337 -0.852 . . . . 0.0 110.747 176.938 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.44 86.98 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.281 1.033 . . . . 0.0 111.544 -179.633 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.016 1.448 . . . . 0.0 109.285 178.492 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.41 Favored 'General case' 0 C--O 1.278 2.578 0 CA-C-N 118.002 0.364 . . . . 0.0 111.196 176.889 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 120.424 -1.422 . . . . 0.0 110.814 175.996 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.231 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.59 79.32 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.517 2.579 . . . . 0.0 109.007 179.488 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.56 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.38 17.95 Favored 'General case' 0 C--O 1.279 2.605 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -175.66 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.13 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 123.083 2.674 . . . . 0.0 113.926 179.82 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.13 Favored Glycine 0 CA--C 1.478 -2.248 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.535 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.021 179.686 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.92 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.169 2.579 . . . . 0.0 110.929 178.164 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.11 92.6 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.853 0.923 . . . . 0.0 113.434 -179.35 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.815 0 O-C-N 119.993 -1.692 . . . . 0.0 112.205 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.46 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.526 -1.359 . . . . 0.0 112.047 178.671 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.74 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.328 2.014 . . . . 0.0 115.64 -177.633 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.88 23.85 Favored 'General case' 0 C--O 1.295 3.49 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.107 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.436 1.016 . . . . 0.0 109.945 -177.502 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.145 1.528 . . . . 0.0 111.911 -177.51 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.66 18.92 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.478 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.99 19.45 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.282 -2.235 . . . . 0.0 110.764 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.58 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.34 2.876 . . . . 0.0 117.481 -179.534 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.711 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.534 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.39 37.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.011 -175.909 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 139.99 36.79 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 125.052 1.47 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.19 29.54 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.681 3.585 . . . . 0.0 120.681 -175.835 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.86 85.23 Favored Glycine 0 CA--C 1.492 -1.403 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.349 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.996 -1.885 . . . . 0.0 107.987 176.488 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.145 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.29 -36.21 79.44 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.16 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.16 -179.466 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.55 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.487 1.137 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.7 51.44 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.994 179.3 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.29 18.34 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 121.556 1.98 . . . . 0.0 111.169 179.822 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.062 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.838 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 126.059 2.1 . . . . 0.0 109.485 -176.816 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 15.9 ptmt -54.71 143.03 26.45 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.183 1.468 . . . . 0.0 109.239 -176.93 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.1 10.63 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.453 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.829 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.998 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.721 -2.562 . . . . 0.0 105.714 175.005 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.946 . . . . 0.0 105.921 177.913 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.839 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.493 176.644 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.107 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.136 0.493 . . . . 0.0 109.856 178.464 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.449 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.06 37.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -135.45 107.38 7.09 Favored 'General case' 0 C--O 1.272 2.274 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.487 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -75.75 124.75 27.79 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 125.768 1.917 . . . . 0.0 109.852 -179.922 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -62.36 -44.61 96.07 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.755 -1.566 . . . . 0.0 108.814 -179.151 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.0 -149.69 51.45 Favored Glycine 0 C--O 1.243 0.687 0 CA-C-N 114.684 -1.144 . . . . 0.0 115.077 -179.374 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.408 0 CA-C-O 116.371 -2.349 . . . . 0.0 108.386 179.113 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 127.011 2.694 . . . . 0.0 108.914 178.336 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.396 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.45 4.843 . . . . 0.0 108.755 179.591 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.525 175.784 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.2 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.381 4.176 . . . . 0.0 108.058 -178.161 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.92 49.46 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.055 0.847 . . . . 0.0 112.59 -177.939 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.805 -2.358 . . . . 0.0 111.956 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.51 80.33 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.183 -1.573 . . . . 0.0 116.149 179.771 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.04 34.49 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 175.021 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.74 55.34 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.595 2.434 . . . . 0.0 106.034 176.117 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.42 141.98 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.611 3.069 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.207 -1.797 . . . . 0.0 108.239 178.123 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.02 44.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.419 -179.184 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.24 44.5 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.172 4.045 . . . . 0.0 103.549 174.015 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.145 0 O-C-N 127.712 3.132 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.7 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.146 -2.297 . . . . 0.0 106.335 174.709 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.552 2.168 . . . . 0.0 111.961 177.725 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.903 -177.524 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.814 -179.032 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.41 21.21 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.708 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 O-C-N 127.198 2.811 . . . . 0.0 110.385 175.738 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.46 79.0 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.367 -0.833 . . . . 0.0 110.727 177.012 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.01 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.303 1.041 . . . . 0.0 111.564 -179.671 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.094 1.496 . . . . 0.0 109.34 178.493 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.99 83.9 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.766 -179.8 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 117.989 0.359 . . . . 0.0 111.231 176.883 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.362 -1.461 . . . . 0.0 110.801 176.017 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.52 77.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.47 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.522 2.582 . . . . 0.0 109.022 179.439 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.64 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.748 179.163 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.43 17.91 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -175.667 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.51 -6.4 8.13 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 123.147 2.703 . . . . 0.0 113.936 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.326 0 N-CA-C 118.899 2.319 . . . . 0.0 118.899 176.554 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.88 83.25 Favored Pre-proline 0 C--O 1.242 0.704 0 C-N-CA 118.83 -1.148 . . . . 0.0 111.013 179.693 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.6 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.128 2.552 . . . . 0.0 110.952 178.153 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.261 1.67 0 C-N-CA 120.707 0.938 . . . . 0.0 113.392 -179.349 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.61 63.65 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 120.002 -1.686 . . . . 0.0 112.179 -177.387 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.78 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.463 -1.398 . . . . 0.0 112.058 178.669 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.78 34.77 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.323 2.011 . . . . 0.0 115.625 -177.651 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.92 23.88 Favored 'General case' 0 C--O 1.296 3.523 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 172.103 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.29 51.03 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.479 1.036 . . . . 0.0 110.016 -177.566 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 125.159 1.537 . . . . 0.0 111.927 -177.503 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.69 18.99 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.504 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.94 19.45 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.757 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 128.43 2.919 . . . . 0.0 117.459 -179.506 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 177.673 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.576 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.003 -175.898 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.94 36.81 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.077 1.486 . . . . 0.0 109.952 -177.739 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.22 29.61 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.833 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.491 -1.434 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 -177.357 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.987 -1.89 . . . . 0.0 107.979 176.516 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.145 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.175 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.6 70.78 Favored 'General case' 0 C--O 1.268 2.073 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.182 -179.484 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.489 1.138 . . . . 0.0 110.736 179.729 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 117.65 -1.167 . . . . 0.0 112.953 179.325 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.42 18.51 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 121.555 1.979 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.173 175.819 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.521 -176.859 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.469 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.78 143.05 26.69 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.199 1.476 . . . . 0.0 109.301 -176.946 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.16 10.65 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 179.483 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.51 34.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.832 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.983 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.666 -2.587 . . . . 0.0 105.714 175.054 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.7 46.5 Favored 'General case' 0 C--N 1.285 -2.231 0 O-C-N 127.455 2.972 . . . . 0.0 105.902 177.916 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.772 0 CA-C-O 117.617 -1.182 . . . . 0.0 111.549 176.564 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.94 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.16 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.119 0.485 . . . . 0.0 109.875 178.435 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.532 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' LEU . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -75.46 17.14 0.29 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.476 -179.292 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 70.53 -82.51 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.917 0 O-C-N 125.812 1.945 . . . . 0.0 109.826 179.404 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -167.86 150.85 5.84 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.859 -179.443 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.07 155.85 26.38 Favored Glycine 0 C--O 1.243 0.677 0 CA-C-N 114.629 -1.169 . . . . 0.0 115.091 -179.433 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 CA-C-O 116.432 -2.315 . . . . 0.0 108.376 179.276 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.978 2.674 . . . . 0.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.393 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.645 1 O-C-N 130.475 4.859 . . . . 0.0 108.761 179.583 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.389 -3.195 . . . . 0.0 105.506 175.814 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.49 41.19 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.372 4.17 . . . . 0.0 108.059 -178.167 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.76 8.37 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.87 49.23 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.054 0.846 . . . . 0.0 112.555 -177.937 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.03 30.13 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.774 -2.371 . . . . 0.0 111.968 179.972 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.39 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.109 -1.619 . . . . 0.0 116.092 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.959 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.76 55.35 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.611 2.445 . . . . 0.0 105.99 176.179 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.98 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 127.64 3.088 . . . . 0.0 109.033 179.651 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.25 178.147 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.03 44.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.333 -2.27 . . . . 0.0 108.463 -179.19 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.43 Favored 'General case' 0 N--CA 1.499 1.986 1 O-C-N 129.182 4.051 . . . . 0.0 103.567 173.973 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.206 0 O-C-N 127.691 3.119 . . . . 0.0 111.214 -177.883 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.46 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.335 174.673 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.4 39.19 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.564 2.176 . . . . 0.0 111.957 177.727 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.16 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.88 -177.496 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.52 47.5 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.836 -179.032 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.4 21.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.726 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.217 2.823 . . . . 0.0 110.327 175.805 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.428 -0.795 . . . . 0.0 110.769 176.988 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.47 86.76 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.292 1.037 . . . . 0.0 111.543 -179.633 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.42 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.1 1.5 . . . . 0.0 109.375 178.459 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -38.0 83.88 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.646 0 CA-C-N 118.01 0.368 . . . . 0.0 111.211 176.856 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 120.339 -1.476 . . . . 0.0 110.838 176.016 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.47 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.887 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.36 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.5 2.571 . . . . 0.0 109.036 179.439 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.75 179.114 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.31 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.667 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.102 2.683 . . . . 0.0 113.96 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.33 90.13 Favored Glycine 0 CA--C 1.478 -2.242 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.542 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.85 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.162 2.575 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.19 92.62 Favored 'Trans proline' 0 C--O 1.261 1.675 0 C-N-CA 120.678 0.918 . . . . 0.0 113.397 -179.326 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 120.007 -1.683 . . . . 0.0 112.188 -177.435 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.44 29.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.494 -1.379 . . . . 0.0 112.035 178.706 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 124.332 2.015 . . . . 0.0 115.627 -177.646 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.512 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 172.079 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.31 50.99 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.454 1.024 . . . . 0.0 109.989 -177.57 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 O-C-N 125.144 1.528 . . . . 0.0 111.881 -177.509 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 177.538 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.95 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.313 -2.221 . . . . 0.0 110.752 177.369 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.54 61.05 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.413 2.911 . . . . 0.0 117.504 -179.5 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.702 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.79 130.3 34.59 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.571 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.693 -1.146 . . . . 0.0 110.026 -175.925 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 125.084 1.49 . . . . 0.0 109.931 -177.746 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.4 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 120.729 3.603 . . . . 0.0 120.729 -175.817 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.88 85.23 Favored Glycine 0 CA--C 1.492 -1.401 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.307 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.994 -1.886 . . . . 0.0 107.984 176.532 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.076 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.23 79.42 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.181 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.005 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.154 -179.494 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.26 70.51 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.457 1.123 . . . . 0.0 110.703 179.772 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.72 51.4 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.025 179.293 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.54 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.525 1.966 . . . . 0.0 111.179 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.114 -2.374 . . . . 0.0 106.198 175.833 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 126.082 2.113 . . . . 0.0 109.532 -176.809 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 143.08 26.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.183 1.468 . . . . 0.0 109.28 -176.96 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.19 10.66 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 179.473 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.843 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.69 52.1 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.008 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.715 175.047 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.42 Favored 'General case' 0 C--N 1.285 -2.205 0 O-C-N 127.471 2.982 . . . . 0.0 105.885 177.931 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.494 176.602 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.08 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 175.127 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.178 0.513 . . . . 0.0 109.815 178.456 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.532 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' H81' ' A' ' 102' ' ' MTN . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -139.47 176.8 8.41 Favored 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.515 179.506 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -165.2 158.53 16.58 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.807 1.942 . . . . 0.0 109.84 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -167.93 146.99 4.71 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 113.839 -1.528 . . . . 0.0 108.854 -179.467 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -51.73 48.87 Favored Glycine 0 C--O 1.244 0.732 0 CA-C-N 114.598 -1.183 . . . . 0.0 115.063 -179.773 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.474 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.351 179.134 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 126.943 2.652 . . . . 0.0 108.909 178.302 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.0 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.667 173.365 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.654 1 O-C-N 130.461 4.85 . . . . 0.0 108.746 179.565 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 175.797 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.23 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.399 4.187 . . . . 0.0 108.068 -178.184 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.74 8.4 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.98 49.75 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.063 0.852 . . . . 0.0 112.585 -177.962 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 115.794 -2.362 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.48 80.36 Favored Glycine 0 C--N 1.298 -1.571 0 O-C-N 120.135 -1.603 . . . . 0.0 116.126 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.05 34.43 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 174.979 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.584 2.427 . . . . 0.0 106.031 176.158 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.568 3.043 . . . . 0.0 109.04 179.649 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.224 -1.79 . . . . 0.0 108.234 178.116 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 153.98 44.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.465 -179.182 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.41 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.241 4.088 . . . . 0.0 103.55 174.025 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.672 3.108 . . . . 0.0 111.231 -177.876 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.65 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.345 174.688 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.48 39.58 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 C-N-CA 122.6 2.2 . . . . 0.0 111.949 177.703 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.07 59.09 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.889 -177.481 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.15 148.53 47.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 117.387 -1.725 . . . . 0.0 109.89 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.45 21.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.717 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 127.174 2.796 . . . . 0.0 110.428 175.708 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.05 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.419 -0.801 . . . . 0.0 110.741 176.98 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.15 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.306 1.043 . . . . 0.0 111.562 -179.627 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.42 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.094 1.496 . . . . 0.0 109.331 178.478 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.75 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.975 0.352 . . . . 0.0 111.226 176.871 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.378 -1.451 . . . . 0.0 110.799 176.033 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.46 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.922 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.62 79.21 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 125.543 2.592 . . . . 0.0 108.994 179.514 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.71 66.46 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.763 179.149 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.4 17.93 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.014 2.228 . . . . 0.0 117.014 -175.677 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.44 8.1 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.064 2.665 . . . . 0.0 113.974 179.834 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.35 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.921 2.328 . . . . 0.0 118.921 176.542 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.814 -1.154 . . . . 0.0 111.032 179.692 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.33 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.148 2.565 . . . . 0.0 110.942 178.179 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.15 92.6 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.862 0.927 . . . . 0.0 113.439 -179.362 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.974 -1.704 . . . . 0.0 112.213 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.511 -1.368 . . . . 0.0 112.02 178.743 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.288 1.994 . . . . 0.0 115.616 -177.632 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.9 23.88 Favored 'General case' 0 C--O 1.296 3.526 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.097 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.481 1.037 . . . . 0.0 109.966 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.138 1.524 . . . . 0.0 111.914 -177.496 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.66 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 177.513 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.02 19.55 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.793 177.412 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.93 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.343 2.877 . . . . 0.0 117.522 -179.51 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.705 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.2 34.62 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.46 138.37 37.56 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.011 -175.891 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.01 36.76 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.112 1.508 . . . . 0.0 109.951 -177.731 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.23 29.83 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.808 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.83 85.32 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 116.108 1.203 . . . . 0.0 116.108 -177.32 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.056 -1.849 . . . . 0.0 107.983 176.522 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.55 11.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.125 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.27 79.33 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.135 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.56 70.74 Favored 'General case' 0 C--O 1.267 2.008 0 C-N-CA 117.311 -1.755 . . . . 0.0 112.161 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.32 70.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.454 1.121 . . . . 0.0 110.733 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.636 -1.173 . . . . 0.0 112.927 179.321 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.4 18.35 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 121.607 2.003 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.41 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.142 175.825 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.075 2.109 . . . . 0.0 109.522 -176.876 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.67 143.06 26.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.273 1.511 . . . . 0.0 109.206 -176.867 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.84 19.23 10.69 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.748 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.13 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.974 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.701 174.999 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.57 135.78 46.35 Favored 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.411 2.945 . . . . 0.0 105.863 177.926 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.82 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.493 176.574 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.99 28.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 175.095 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.202 0.525 . . . . 0.0 109.836 178.47 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.571 ' H81' ' O ' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.3 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.635 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.73 37.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.635 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . 153.83 -158.17 0.0 OUTLIER 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.495 173.33 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 80.16 108.7 0.07 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 125.821 1.951 . . . . 0.0 109.833 179.043 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 54.12 -171.55 0.05 OUTLIER 'General case' 0 C--O 1.245 0.838 0 CA-C-N 113.796 -1.547 . . . . 0.0 108.857 -179.443 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 92.73 9.68 60.98 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.675 -1.148 . . . . 0.0 115.111 -179.473 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.367 179.23 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 127.006 2.691 . . . . 0.0 108.908 178.286 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.359 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.441 4.838 . . . . 0.0 108.82 179.541 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.17 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.489 175.874 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.49 41.17 Favored 'General case' 0 N--CA 1.504 2.259 1 O-C-N 129.403 4.189 . . . . 0.0 108.086 -178.191 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.76 8.37 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.95 49.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.064 0.853 . . . . 0.0 112.626 -177.982 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.859 -2.336 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.47 80.3 Favored Glycine 0 C--N 1.297 -1.599 0 O-C-N 120.163 -1.586 . . . . 0.0 116.109 179.75 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.03 34.46 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.94 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.605 2.441 . . . . 0.0 106.046 176.116 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 127.636 3.085 . . . . 0.0 109.014 179.708 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.236 178.098 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.447 -179.208 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.218 4.074 . . . . 0.0 103.572 174.003 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 O-C-N 127.701 3.125 . . . . 0.0 111.199 -177.854 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.202 -2.272 . . . . 0.0 106.289 174.728 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.531 2.154 . . . . 0.0 111.932 177.702 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.1 59.15 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.889 -177.455 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.51 47.53 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.332 -1.747 . . . . 0.0 109.887 -179.079 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.44 21.21 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 175.717 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.192 2.807 . . . . 0.0 110.37 175.746 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.382 -0.824 . . . . 0.0 110.749 176.984 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.87 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.286 1.035 . . . . 0.0 111.574 -179.668 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.037 1.46 . . . . 0.0 109.308 178.479 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.92 83.75 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.95 86.87 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.997 0.362 . . . . 0.0 111.187 176.883 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.23 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.412 -1.43 . . . . 0.0 110.773 176.029 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.53 77.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.951 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.58 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.481 2.562 . . . . 0.0 109.039 179.458 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.74 66.63 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.777 179.091 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.651 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -175.635 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 123.139 2.7 . . . . 0.0 113.965 179.811 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.501 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.81 83.4 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.802 -1.159 . . . . 0.0 111.033 179.675 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.183 2.589 . . . . 0.0 110.916 178.2 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.09 92.67 Favored 'Trans proline' 0 C--O 1.261 1.674 0 O-C-N 122.907 0.951 . . . . 0.0 113.438 -179.34 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 119.96 -1.713 . . . . 0.0 112.22 -177.485 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.45 28.86 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.553 -1.342 . . . . 0.0 112.04 178.715 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.293 1.996 . . . . 0.0 115.668 -177.667 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.97 23.98 Favored 'General case' 0 C--O 1.295 3.484 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.122 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 119.41 1.004 . . . . 0.0 109.991 -177.545 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.133 1.521 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.567 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.753 177.355 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.52 60.95 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 128.399 2.904 . . . . 0.0 117.526 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.7 46.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.698 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.26 1.605 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.587 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.016 -175.858 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.92 140.01 36.78 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.745 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.23 29.23 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.803 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.92 85.17 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.148 1.219 . . . . 0.0 116.148 -177.379 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.58 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.979 -1.895 . . . . 0.0 108.015 176.513 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.131 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.103 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.053 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.145 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.54 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.503 1.144 . . . . 0.0 110.76 179.73 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.67 51.46 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 112.967 179.309 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.55 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 121.521 1.964 . . . . 0.0 111.187 179.857 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.37 30.22 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-O 115.089 -2.386 . . . . 0.0 106.192 175.851 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.35 169.53 8.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.152 2.157 . . . . 0.0 109.528 -176.844 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 22.6 pttp -54.79 143.08 26.62 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.184 1.469 . . . . 0.0 109.285 -176.938 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.16 10.66 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.813 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.72 52.2 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.669 175.989 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.61 19.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.659 -2.591 . . . . 0.0 105.711 175.027 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.462 2.976 . . . . 0.0 105.904 177.924 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.507 176.573 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.132 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.164 0.507 . . . . 0.0 109.836 178.421 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.613 ' SG ' ' H2 ' ' A' ' 102' ' ' MTN . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -147.27 162.75 38.3 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 113.356 -3.211 . . . . 0.0 105.492 179.436 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ARG . . . -157.61 -167.58 2.31 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.858 1.974 . . . . 0.0 109.838 -179.646 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -147.74 159.55 43.68 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 113.78 -1.555 . . . . 0.0 108.832 -179.321 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.95 166.97 12.68 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.667 -1.151 . . . . 0.0 115.058 -179.434 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.414 -2.326 . . . . 0.0 108.409 179.194 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.993 2.683 . . . . 0.0 108.894 178.346 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 173.396 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.652 1 O-C-N 130.444 4.84 . . . . 0.0 108.777 179.569 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.51 175.824 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.396 4.185 . . . . 0.0 108.01 -178.156 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.72 8.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.64 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.026 0.829 . . . . 0.0 112.62 -177.954 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.814 -2.354 . . . . 0.0 111.989 179.952 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.53 80.36 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.09 -1.631 . . . . 0.0 116.122 179.761 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.02 34.49 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.997 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.612 2.445 . . . . 0.0 106.037 176.144 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.613 3.07 . . . . 0.0 109.036 179.671 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.79 36.63 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.217 -1.793 . . . . 0.0 108.241 178.136 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.31 -2.281 . . . . 0.0 108.481 -179.164 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.219 4.075 . . . . 0.0 103.573 173.999 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.153 0 O-C-N 127.736 3.147 . . . . 0.0 111.231 -177.929 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.49 37.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.314 174.707 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.5 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 122.52 2.147 . . . . 0.0 111.936 177.746 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.16 59.12 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.899 -177.523 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.6 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 117.389 -1.724 . . . . 0.0 109.852 -179.032 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.722 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.28 -37.27 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.226 2.829 . . . . 0.0 110.424 175.735 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.42 79.21 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.321 -0.862 . . . . 0.0 110.756 176.983 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.5 87.04 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.281 1.032 . . . . 0.0 111.52 -179.661 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.43 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.044 1.465 . . . . 0.0 109.309 178.511 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.98 83.72 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.13 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.028 0.376 . . . . 0.0 111.213 176.875 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.472 -1.392 . . . . 0.0 110.816 175.999 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.51 77.64 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.932 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.59 79.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.484 2.564 . . . . 0.0 108.992 179.489 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.76 66.37 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.711 -1.586 . . . . 0.0 111.772 179.102 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.46 17.93 Favored 'General case' 0 C--O 1.28 2.676 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.666 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.39 8.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 123.081 2.673 . . . . 0.0 113.939 179.801 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.31 90.14 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.518 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.41 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.029 179.683 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.99 80.01 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.164 2.576 . . . . 0.0 110.96 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.14 92.78 Favored 'Trans proline' 0 C--O 1.262 1.703 0 O-C-N 122.865 0.929 . . . . 0.0 113.439 -179.334 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.915 -1.741 . . . . 0.0 112.219 -177.43 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.474 -1.391 . . . . 0.0 112.039 178.671 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.344 2.021 . . . . 0.0 115.626 -177.676 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.96 23.96 Favored 'General case' 0 C--O 1.296 3.52 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.113 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.24 51.02 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.471 1.032 . . . . 0.0 109.931 -177.495 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 125.168 1.543 . . . . 0.0 111.892 -177.518 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 177.554 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.79 177.388 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.61 61.17 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 128.365 2.888 . . . . 0.0 117.488 -179.525 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.677 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.23 34.61 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 174.562 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.041 -175.868 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 125.029 1.456 . . . . 0.0 109.938 -177.691 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.27 29.57 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.819 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.85 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.119 1.207 . . . . 0.0 116.119 -177.353 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.53 17.08 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.053 -1.851 . . . . 0.0 107.993 176.48 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.15 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 117.344 -1.742 . . . . 0.0 112.176 -179.482 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.29 70.52 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.475 1.131 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.68 51.47 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.01 179.226 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.38 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 121.55 1.977 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.208 175.79 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.034 2.084 . . . . 0.0 109.528 -176.846 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.574 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 21.1 pttp -54.78 143.05 26.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.195 1.474 . . . . 0.0 109.268 -176.889 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.45 34.68 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.838 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.12 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.938 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.72 175.034 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.8 46.39 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 127.422 2.951 . . . . 0.0 105.888 177.927 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.516 176.609 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.155 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.496 . . . . 0.0 109.842 178.421 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.613 ' H2 ' ' SG ' ' A' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.572 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.14 34.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . 171.68 -179.72 0.06 Allowed 'General case' 0 C--O 1.272 2.254 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.502 -179.573 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 73.47 93.92 0.08 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.813 1.946 . . . . 0.0 109.849 -179.902 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -152.29 -172.49 4.25 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.865 -179.438 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -22.63 145.27 0.01 OUTLIER Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.663 -1.153 . . . . 0.0 115.088 -179.364 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' B' ' 63' ' ' LYS . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.353 -2.359 . . . . 0.0 108.368 179.105 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.922 2.639 . . . . 0.0 108.946 178.268 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.673 173.404 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.642 1 O-C-N 130.473 4.858 . . . . 0.0 108.82 179.586 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.496 175.834 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.25 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.39 4.181 . . . . 0.0 108.029 -178.166 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.832 -1.08 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.53 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.054 0.846 . . . . 0.0 112.607 -177.969 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.001 179.95 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.51 80.28 Favored Glycine 0 C--N 1.298 -1.545 0 O-C-N 120.08 -1.637 . . . . 0.0 116.169 179.756 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.984 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.623 2.452 . . . . 0.0 105.989 176.185 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.02 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.607 3.067 . . . . 0.0 109.059 179.647 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.8 36.62 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 117.275 -1.77 . . . . 0.0 108.196 178.128 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.0 44.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.475 -179.225 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.156 4.035 . . . . 0.0 103.565 174.037 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.64 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.747 3.155 . . . . 0.0 111.193 -177.888 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.61 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.099 -2.319 . . . . 0.0 106.345 174.664 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.29 Favored 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 122.584 2.19 . . . . 0.0 111.934 177.699 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.913 -177.522 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.48 47.57 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.319 -1.752 . . . . 0.0 109.88 -179.049 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.4 21.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.69 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.164 2.79 . . . . 0.0 110.358 175.8 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.46 79.12 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.343 -0.848 . . . . 0.0 110.756 177.008 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.12 Favored 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.274 1.03 . . . . 0.0 111.501 -179.653 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 125.1 1.5 . . . . 0.0 109.333 178.501 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.98 83.94 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.797 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.07 87.28 Favored 'General case' 0 C--O 1.279 2.62 0 CA-C-N 117.973 0.352 . . . . 0.0 111.243 176.884 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.01 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 120.416 -1.427 . . . . 0.0 110.756 176.006 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.43 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.211 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.61 79.24 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.552 2.596 . . . . 0.0 109.028 179.456 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.74 66.39 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.734 179.124 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.36 17.95 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.645 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.097 2.68 . . . . 0.0 113.96 179.802 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 118.892 2.317 . . . . 0.0 118.892 176.513 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.006 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.127 2.551 . . . . 0.0 110.921 178.194 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.63 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.886 0.94 . . . . 0.0 113.44 -179.35 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.922 -1.736 . . . . 0.0 112.226 -177.471 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.5 28.88 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.515 -1.366 . . . . 0.0 112.07 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.287 1.994 . . . . 0.0 115.664 -177.656 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.03 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 172.092 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.21 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.427 1.012 . . . . 0.0 110.016 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.165 1.54 . . . . 0.0 111.925 -177.46 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.03 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.496 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.04 19.22 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.778 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.66 60.96 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.311 2.863 . . . . 0.0 117.517 -179.511 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.35 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.701 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 174.513 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.45 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.019 -175.857 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.035 1.459 . . . . 0.0 109.977 -177.724 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.82 Favored 'General case' 0 C--O 1.266 1.935 0 N-CA-C 120.7 3.592 . . . . 0.0 120.7 -175.799 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.84 85.31 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.61 16.96 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.035 -1.862 . . . . 0.0 108.009 176.506 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.58 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.128 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.21 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.269 2.082 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.143 -179.481 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.26 70.66 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.498 1.142 . . . . 0.0 110.732 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.64 51.56 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.992 179.255 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.36 18.27 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.589 1.995 . . . . 0.0 111.211 179.882 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.164 175.815 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.037 2.086 . . . . 0.0 109.51 -176.81 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.522 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 20.2 ttpp -54.77 143.07 26.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 123.182 1.468 . . . . 0.0 109.283 -176.936 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 179.462 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.794 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.15 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.0 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.63 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.72 -2.562 . . . . 0.0 105.707 175.006 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.83 46.27 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.44 2.962 . . . . 0.0 105.909 177.92 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.541 176.574 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.128 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.209 0.528 . . . . 0.0 109.827 178.455 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.572 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.98 40.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.69 -64.82 1.09 Allowed 'General case' 0 C--O 1.272 2.246 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.461 179.525 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 69.5 90.39 0.1 Allowed 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.872 1.982 . . . . 0.0 109.85 -179.854 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -141.2 156.7 45.88 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.835 -179.41 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -88.67 -157.83 33.05 Favored Glycine 0 C--O 1.243 0.713 0 CA-C-N 114.68 -1.146 . . . . 0.0 115.089 -179.399 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.477 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.345 179.273 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 126.979 2.674 . . . . 0.0 108.906 178.32 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.04 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.28 0 N-CA-C 105.628 -1.989 . . . . 0.0 105.628 173.384 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.19 49.47 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.467 4.854 . . . . 0.0 108.786 179.57 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.17 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.492 175.858 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.22 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.424 4.203 . . . . 0.0 108.055 -178.165 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.95 49.6 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 124.097 0.873 . . . . 0.0 112.588 -177.926 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.825 -2.35 . . . . 0.0 111.981 179.962 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.5 80.3 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.089 -1.632 . . . . 0.0 116.14 179.755 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.983 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.585 2.428 . . . . 0.0 106.048 176.187 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.05 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.567 3.042 . . . . 0.0 109.085 179.692 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.81 36.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.269 178.139 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.01 44.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.428 -179.159 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.24 44.51 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.225 4.078 . . . . 0.0 103.578 173.972 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.719 3.137 . . . . 0.0 111.182 -177.87 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.355 174.663 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.38 39.2 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 C-N-CA 122.564 2.176 . . . . 0.0 111.921 177.699 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.96 -8.14 59.17 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.852 -177.44 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.47 47.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.89 -179.065 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.4 21.29 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.684 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 O-C-N 127.136 2.772 . . . . 0.0 110.373 175.751 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.4 79.29 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.378 -0.826 . . . . 0.0 110.727 176.96 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.51 86.64 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 124.367 1.067 . . . . 0.0 111.509 -179.652 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.42 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.119 1.512 . . . . 0.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.93 83.59 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.733 -179.739 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.02 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.984 0.356 . . . . 0.0 111.243 176.888 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.395 -1.441 . . . . 0.0 110.819 175.984 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.913 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.64 79.17 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 125.503 2.573 . . . . 0.0 108.994 179.511 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.69 66.48 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.776 179.103 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -175.65 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 123.133 2.697 . . . . 0.0 113.949 179.828 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.35 90.13 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.879 2.312 . . . . 0.0 118.879 176.51 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.83 83.31 Favored Pre-proline 0 C--O 1.243 0.726 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.988 179.726 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.94 79.5 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.187 2.592 . . . . 0.0 110.902 178.189 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.19 92.86 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 122.841 0.916 . . . . 0.0 113.465 -179.376 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 119.93 -1.731 . . . . 0.0 112.213 -177.465 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.43 28.9 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.527 -1.358 . . . . 0.0 112.08 178.686 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 124.286 1.993 . . . . 0.0 115.636 -177.64 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.91 23.89 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.3 50.99 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.464 1.029 . . . . 0.0 109.994 -177.572 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.181 1.55 . . . . 0.0 111.871 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.69 18.99 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 177.457 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.29 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.768 177.38 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.62 61.01 Favored Glycine 0 N--CA 1.433 -1.528 0 C-N-CA 128.339 2.876 . . . . 0.0 117.52 -179.448 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.71 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.3 34.59 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.608 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.078 -175.956 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.74 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.031 1.457 . . . . 0.0 109.945 -177.691 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.3 29.13 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.725 3.602 . . . . 0.0 120.725 -175.823 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.81 -8.89 85.28 Favored Glycine 0 CA--C 1.491 -1.412 0 N-CA-C 116.099 1.199 . . . . 0.0 116.099 -177.315 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.55 17.02 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 120.007 -1.878 . . . . 0.0 107.991 176.547 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.083 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.27 79.36 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.174 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.316 -1.753 . . . . 0.0 112.164 -179.486 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.67 -39.24 70.66 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.478 1.132 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.004 179.269 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.37 18.48 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 121.566 1.984 . . . . 0.0 111.208 179.901 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.39 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.045 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.182 175.827 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.122 2.139 . . . . 0.0 109.489 -176.821 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.8 143.06 26.74 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 123.215 1.483 . . . . 0.0 109.287 -176.917 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.494 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.788 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.67 52.11 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.969 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.677 -2.582 . . . . 0.0 105.715 175.027 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.75 46.42 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.445 2.966 . . . . 0.0 105.88 177.909 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.87 30.94 Favored 'General case' 0 C--O 1.281 2.761 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.494 176.586 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.88 28.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.142 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.213 0.53 . . . . 0.0 109.824 178.466 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 102' ' ' MTN . . . . . 0.486 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.04 39.58 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 166.22 -168.28 0.01 OUTLIER 'General case' 0 C--O 1.273 2.291 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.527 -177.126 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 77.54 36.84 0.26 Allowed 'General case' 0 C--N 1.292 -1.903 0 O-C-N 125.823 1.952 . . . . 0.0 109.867 179.839 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -156.55 130.69 8.55 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-N 113.8 -1.545 . . . . 0.0 108.8 -179.43 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.31 175.47 43.6 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 114.644 -1.162 . . . . 0.0 115.044 -179.569 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 CA-C-O 116.347 -2.363 . . . . 0.0 108.395 179.182 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 126.972 2.67 . . . . 0.0 108.952 178.32 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.413 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.461 4.851 . . . . 0.0 108.77 179.593 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.51 41.29 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.405 4.19 . . . . 0.0 108.045 -178.177 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.92 49.39 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.001 0.813 . . . . 0.0 112.606 -177.945 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.96 30.34 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.787 -2.365 . . . . 0.0 111.958 179.981 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.5 80.36 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.123 -1.611 . . . . 0.0 116.101 179.725 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.03 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 174.994 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.78 55.37 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.613 2.445 . . . . 0.0 106.032 176.134 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.603 3.064 . . . . 0.0 109.014 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.221 178.091 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.14 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.391 -179.18 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.0 1 O-C-N 129.211 4.07 . . . . 0.0 103.596 173.978 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 O-C-N 127.717 3.136 . . . . 0.0 111.222 -177.912 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.297 174.702 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.51 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 122.562 2.175 . . . . 0.0 111.947 177.699 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.09 59.09 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.867 -177.509 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.45 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.43 21.28 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.708 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.32 -37.25 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.167 2.792 . . . . 0.0 110.354 175.765 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.348 -0.845 . . . . 0.0 110.722 176.98 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.367 1.067 . . . . 0.0 111.518 -179.636 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.043 1.465 . . . . 0.0 109.279 178.534 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.94 83.7 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.761 -179.773 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.08 87.19 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 118.014 0.37 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.401 0 O-C-N 120.375 -1.453 . . . . 0.0 110.792 175.988 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.47 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.62 79.26 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.548 2.594 . . . . 0.0 109.006 179.493 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.71 66.52 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.73 179.201 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.43 17.94 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.676 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.151 2.705 . . . . 0.0 113.911 179.858 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.856 2.302 . . . . 0.0 118.856 176.535 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.89 83.21 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.007 179.718 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.87 79.23 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.116 2.544 . . . . 0.0 110.937 178.208 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.25 92.8 Favored 'Trans proline' 0 C--O 1.261 1.667 0 O-C-N 122.868 0.931 . . . . 0.0 113.452 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.93 -1.731 . . . . 0.0 112.182 -177.43 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.49 28.9 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.518 -1.364 . . . . 0.0 112.022 178.714 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.341 2.02 . . . . 0.0 115.627 -177.662 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.93 23.95 Favored 'General case' 0 C--O 1.295 3.472 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.135 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.451 1.023 . . . . 0.0 109.991 -177.605 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.139 1.524 . . . . 0.0 111.888 -177.491 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.69 18.95 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.496 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.0 19.5 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.185 -2.279 . . . . 0.0 110.764 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.371 2.891 . . . . 0.0 117.513 -179.464 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.652 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.57 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.555 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.032 -175.904 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.11 1.506 . . . . 0.0 109.957 -177.708 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.59 Favored 'General case' 0 C--O 1.265 1.909 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.841 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.96 85.14 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 116.133 1.213 . . . . 0.0 116.133 -177.367 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.52 17.11 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 119.994 -1.886 . . . . 0.0 107.944 176.504 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.65 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 177.128 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.18 79.26 Favored 'General case' 0 C--O 1.202 -1.433 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.182 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.67 70.82 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.157 -179.489 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.31 70.46 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.43 1.109 . . . . 0.0 110.71 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.67 51.48 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 117.637 -1.173 . . . . 0.0 112.978 179.282 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.33 18.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.574 1.988 . . . . 0.0 111.223 179.867 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.39 30.25 Favored 'Isoleucine or valine' 0 C--O 1.268 2.07 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.136 175.88 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.063 2.102 . . . . 0.0 109.552 -176.901 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 9.0 ptmm? -54.69 143.05 26.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.244 1.497 . . . . 0.0 109.279 -176.913 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.469 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.53 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.766 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.919 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.76 -2.543 . . . . 0.0 105.694 174.988 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.397 2.936 . . . . 0.0 105.913 177.909 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.99 115.74 30.72 Favored 'General case' 0 C--O 1.283 2.834 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.555 176.568 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 175.142 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.214 0.531 . . . . 0.0 109.806 178.422 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.02 35.74 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.488 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.995 2.684 . . . . 0.0 108.923 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.681 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.42 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.523 4.889 . . . . 0.0 108.807 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.466 -3.159 . . . . 0.0 105.484 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.24 Favored 'General case' 0 N--CA 1.504 2.247 1 O-C-N 129.335 4.147 . . . . 0.0 108.085 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.775 -1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.106 0.879 . . . . 0.0 112.57 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.048 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.46 80.36 Favored Glycine 0 C--N 1.298 -1.532 0 O-C-N 120.068 -1.645 . . . . 0.0 116.115 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.634 2.459 . . . . 0.0 106.052 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.648 3.092 . . . . 0.0 109.033 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.7 36.77 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.219 -1.792 . . . . 0.0 108.208 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.03 44.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.427 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.235 4.084 . . . . 0.0 103.558 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.688 3.118 . . . . 0.0 111.237 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.4 38.93 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 122.549 2.166 . . . . 0.0 111.973 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.18 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.934 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.354 -1.738 . . . . 0.0 109.911 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.45 21.2 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.33 -37.21 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.218 2.824 . . . . 0.0 110.344 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.4 79.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.54 86.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 124.325 1.05 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.25 -46.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.077 1.486 . . . . 0.0 109.305 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.98 83.85 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.763 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.03 87.17 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 117.985 0.357 . . . . 0.0 111.214 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 120.388 -1.445 . . . . 0.0 110.785 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.63 79.11 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.495 2.569 . . . . 0.0 109.016 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.71 66.36 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.661 -1.609 . . . . 0.0 111.772 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.49 17.93 Favored 'General case' 0 C--O 1.279 2.631 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 123.108 2.685 . . . . 0.0 113.978 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.288 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.38 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.853 -1.139 . . . . 0.0 111.007 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.73 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.14 2.56 . . . . 0.0 110.939 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.66 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.858 0.925 . . . . 0.0 113.407 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.51 28.87 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.453 -1.404 . . . . 0.0 112.079 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 124.292 1.996 . . . . 0.0 115.606 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.99 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.422 1.01 . . . . 0.0 109.936 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.098 1.499 . . . . 0.0 111.906 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.67 18.9 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.766 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.57 60.92 Favored Glycine 0 N--CA 1.433 -1.556 0 C-N-CA 128.386 2.898 . . . . 0.0 117.514 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.37 37.43 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.688 -1.149 . . . . 0.0 110.048 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.04 36.68 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.117 1.51 . . . . 0.0 109.953 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.14 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.94 85.15 Favored Glycine 0 CA--C 1.493 -1.337 0 N-CA-C 116.093 1.197 . . . . 0.0 116.093 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.51 17.12 Favored 'General case' 0 C--O 1.251 1.136 0 O-C-N 120.051 -1.853 . . . . 0.0 108.001 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.25 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.362 -1.735 . . . . 0.0 112.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.3 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.469 1.128 . . . . 0.0 110.721 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.77 51.27 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.27 18.6 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.538 1.972 . . . . 0.0 111.208 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.38 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.057 0 CA-C-O 115.154 -2.355 . . . . 0.0 106.209 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.044 2.09 . . . . 0.0 109.521 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' B' ' 63' ' ' LYS . 13.4 ptmm? -54.72 143.04 26.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.18 1.467 . . . . 0.0 109.245 -176.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.15 10.64 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.28 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.64 19.12 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.46 Favored 'General case' 0 C--N 1.285 -2.203 0 O-C-N 127.456 2.973 . . . . 0.0 105.882 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.854 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.53 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.212 0.53 . . . . 0.0 109.807 178.463 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.11 36.94 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.214 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.505 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.941 2.651 . . . . 0.0 108.883 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.47 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 130.445 4.84 . . . . 0.0 108.74 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.472 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.242 1 O-C-N 129.366 4.166 . . . . 0.0 108.098 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.96 49.67 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.006 0.816 . . . . 0.0 112.608 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.18 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.819 -2.352 . . . . 0.0 111.993 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.5 80.29 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.098 -1.626 . . . . 0.0 116.133 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.1 34.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.602 2.439 . . . . 0.0 106.026 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.02 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 127.555 3.035 . . . . 0.0 109.072 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.53 139.76 36.75 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.2 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.364 -2.255 . . . . 0.0 108.472 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.19 4.056 . . . . 0.0 103.533 174.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 O-C-N 127.713 3.133 . . . . 0.0 111.177 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.45 37.58 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.281 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.47 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 122.509 2.14 . . . . 0.0 111.986 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.889 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.312 -1.755 . . . . 0.0 109.863 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 127.218 2.824 . . . . 0.0 110.397 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.342 -0.849 . . . . 0.0 110.694 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.43 86.96 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.34 1.056 . . . . 0.0 111.486 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.41 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.054 1.471 . . . . 0.0 109.326 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.93 83.72 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.785 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.34 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 117.979 0.354 . . . . 0.0 111.212 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.387 0 O-C-N 120.413 -1.429 . . . . 0.0 110.791 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.43 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 125.518 2.58 . . . . 0.0 109.022 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.67 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.711 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.94 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.3 8.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.071 2.669 . . . . 0.0 113.972 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.35 90.16 Favored Glycine 0 CA--C 1.478 -2.243 0 N-CA-C 118.904 2.321 . . . . 0.0 118.904 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.81 83.44 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.754 -1.178 . . . . 0.0 110.981 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.156 2.571 . . . . 0.0 110.908 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.12 92.63 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.88 0.937 . . . . 0.0 113.443 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 119.975 -1.703 . . . . 0.0 112.198 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.42 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.513 -1.367 . . . . 0.0 112.01 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.282 1.991 . . . . 0.0 115.573 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.18 115.93 23.98 Favored 'General case' 0 C--O 1.296 3.54 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.27 50.95 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 119.456 1.025 . . . . 0.0 109.951 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 125.174 1.546 . . . . 0.0 111.955 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.02 19.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.267 -2.242 . . . . 0.0 110.758 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.87 21.47 61.11 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 128.378 2.894 . . . . 0.0 117.466 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.28 34.61 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.44 37.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.038 -175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 125.079 1.487 . . . . 0.0 109.956 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.26 29.21 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 120.689 3.588 . . . . 0.0 120.689 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.92 85.2 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.096 1.198 . . . . 0.0 116.096 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.006 -1.879 . . . . 0.0 108.009 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.185 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.29 70.73 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.458 1.123 . . . . 0.0 110.698 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.39 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.655 -1.164 . . . . 0.0 112.986 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.39 18.47 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 121.575 1.988 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.4 30.3 Favored 'Isoleucine or valine' 0 C--O 1.267 2.013 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.166 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.34 169.57 8.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.161 2.163 . . . . 0.0 109.509 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 18.9 tttm -54.8 143.03 26.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.23 1.491 . . . . 0.0 109.251 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.66 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.722 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.445 2.966 . . . . 0.0 105.876 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.521 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.93 28.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 178.474 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.49 36.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.227 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.51 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.978 2.674 . . . . 0.0 108.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.16 49.53 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.479 4.862 . . . . 0.0 108.791 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.473 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 129.406 4.191 . . . . 0.0 108.04 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.88 49.25 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.088 0.868 . . . . 0.0 112.603 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 14.99 30.28 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.031 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.45 80.33 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.145 -1.597 . . . . 0.0 116.123 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.07 34.39 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.8 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.689 2.493 . . . . 0.0 106.021 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 127.598 3.061 . . . . 0.0 109.069 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.7 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.262 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.0 44.22 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.481 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.002 1 O-C-N 129.167 4.042 . . . . 0.0 103.561 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.727 3.142 . . . . 0.0 111.209 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 112.122 -2.308 . . . . 0.0 106.294 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.22 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.604 2.203 . . . . 0.0 111.911 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.926 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.87 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.39 21.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.24 77.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 O-C-N 127.163 2.789 . . . . 0.0 110.399 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.42 79.27 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.325 -0.859 . . . . 0.0 110.701 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 124.293 1.037 . . . . 0.0 111.578 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.058 1.473 . . . . 0.0 109.335 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.97 83.87 Favored 'General case' 0 C--O 1.256 1.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.781 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.4 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.016 0.371 . . . . 0.0 111.231 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.324 -1.485 . . . . 0.0 110.798 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.37 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 125.467 2.556 . . . . 0.0 109.004 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.53 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.757 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.42 17.97 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.38 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.115 2.689 . . . . 0.0 113.977 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.907 2.323 . . . . 0.0 118.907 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.027 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.114 2.543 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.261 1.663 0 O-C-N 122.885 0.94 . . . . 0.0 113.44 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.56 63.64 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 120.015 -1.678 . . . . 0.0 112.224 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.45 28.8 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.482 -1.386 . . . . 0.0 112.037 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 124.294 1.997 . . . . 0.0 115.607 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.544 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 O-C-N 125.199 1.562 . . . . 0.0 111.854 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.806 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.01 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.365 2.888 . . . . 0.0 117.506 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.31 34.59 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.057 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.07 36.63 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 125.077 1.486 . . . . 0.0 109.951 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.2 30.05 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.697 3.591 . . . . 0.0 120.697 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.29 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.109 1.204 . . . . 0.0 116.109 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.58 16.98 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 120.017 -1.873 . . . . 0.0 107.983 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.23 79.31 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.039 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.174 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.34 70.45 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.455 1.122 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.44 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.029 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.38 18.56 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.52 1.964 . . . . 0.0 111.224 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.42 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.125 -2.369 . . . . 0.0 106.172 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.55 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.067 2.104 . . . . 0.0 109.507 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -54.76 143.03 26.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.222 1.486 . . . . 0.0 109.244 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.19 159.45 34.63 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.11 126.66 52.15 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.759 -2.543 . . . . 0.0 105.7 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.402 2.939 . . . . 0.0 105.924 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.819 0 CA-C-O 117.577 -1.202 . . . . 0.0 111.498 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.101 0.477 . . . . 0.0 109.845 178.454 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.91 37.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.531 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 126.959 2.662 . . . . 0.0 108.893 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.95 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.433 4.833 . . . . 0.0 108.758 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.503 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.236 1 O-C-N 129.41 4.194 . . . . 0.0 108.062 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.94 49.56 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.086 0.866 . . . . 0.0 112.602 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.27 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.45 80.31 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.142 -1.599 . . . . 0.0 116.188 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.631 2.457 . . . . 0.0 106.044 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.01 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.613 3.07 . . . . 0.0 109.032 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.76 36.67 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.265 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.385 -2.245 . . . . 0.0 108.428 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.42 Favored 'General case' 0 N--CA 1.5 2.041 1 O-C-N 129.243 4.09 . . . . 0.0 103.56 174.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.723 3.139 . . . . 0.0 111.24 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.5 37.76 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.144 -2.298 . . . . 0.0 106.294 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.51 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.589 2.193 . . . . 0.0 111.918 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.948 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.868 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.149 2.781 . . . . 0.0 110.368 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.349 -0.844 . . . . 0.0 110.727 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.93 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.315 1.046 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.019 1.449 . . . . 0.0 109.324 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.08 87.39 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 117.957 0.344 . . . . 0.0 111.227 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.3 86.98 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.405 -1.435 . . . . 0.0 110.81 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.45 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.59 79.36 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.461 2.553 . . . . 0.0 108.984 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.54 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.747 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.43 17.97 Favored 'General case' 0 C--O 1.279 2.654 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.091 2.678 . . . . 0.0 113.969 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.45 90.08 Favored Glycine 0 CA--C 1.478 -2.25 0 N-CA-C 118.917 2.327 . . . . 0.0 118.917 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.85 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.797 -1.161 . . . . 0.0 111.017 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.48 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.142 2.561 . . . . 0.0 110.916 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.262 1.682 0 O-C-N 122.892 0.943 . . . . 0.0 113.393 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.14 -15.59 63.65 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.986 -1.696 . . . . 0.0 112.221 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.522 -1.361 . . . . 0.0 112.045 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 124.332 2.015 . . . . 0.0 115.616 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.02 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.502 1.046 . . . . 0.0 110.01 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.89 72.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.205 1.566 . . . . 0.0 111.904 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.32 129.67 18.84 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.74 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.61 60.99 Favored Glycine 0 N--CA 1.432 -1.603 0 C-N-CA 128.365 2.888 . . . . 0.0 117.505 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.4 37.46 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.991 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.74 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 125.096 1.497 . . . . 0.0 109.935 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.66 Favored 'General case' 0 C--O 1.266 1.923 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.84 85.29 Favored Glycine 0 CA--C 1.491 -1.439 0 N-CA-C 116.119 1.208 . . . . 0.0 116.119 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.62 16.99 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 119.978 -1.896 . . . . 0.0 108.01 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.56 11.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.19 79.24 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.167 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.26 70.48 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.497 1.142 . . . . 0.0 110.736 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.65 51.59 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.965 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.37 18.31 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.582 1.992 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.048 0 CA-C-O 115.134 -2.365 . . . . 0.0 106.167 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.07 2.106 . . . . 0.0 109.533 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 123.223 1.487 . . . . 0.0 109.235 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 117.896 2.554 . . . . 0.0 117.896 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.56 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.14 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.65 19.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.752 -2.546 . . . . 0.0 105.667 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.388 2.93 . . . . 0.0 105.903 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.83 30.87 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.482 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.196 0.522 . . . . 0.0 109.86 178.452 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.78 37.38 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.238 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.506 -179.061 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.944 2.652 . . . . 0.0 108.952 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.662 1 O-C-N 130.455 4.847 . . . . 0.0 108.774 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.499 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.53 41.27 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.388 4.18 . . . . 0.0 108.067 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.4 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.98 49.75 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.048 0.843 . . . . 0.0 112.602 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.5 80.35 Favored Glycine 0 C--N 1.298 -1.554 0 O-C-N 120.162 -1.586 . . . . 0.0 116.145 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.78 55.33 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.56 2.412 . . . . 0.0 106.018 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.615 3.072 . . . . 0.0 109.039 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.77 36.71 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.281 -1.767 . . . . 0.0 108.224 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.449 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.45 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.229 4.08 . . . . 0.0 103.565 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 O-C-N 127.638 3.086 . . . . 0.0 111.252 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.8 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.188 -2.278 . . . . 0.0 106.351 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.43 39.49 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.573 2.182 . . . . 0.0 111.933 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.889 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.905 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.28 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.176 2.798 . . . . 0.0 110.409 175.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.42 79.13 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.374 -0.829 . . . . 0.0 110.764 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 124.316 1.046 . . . . 0.0 111.495 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.02 1.45 . . . . 0.0 109.297 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -38.01 83.85 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.756 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.004 0.366 . . . . 0.0 111.209 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.0 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.404 -1.435 . . . . 0.0 110.815 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.2 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 125.522 2.582 . . . . 0.0 109.037 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.716 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.151 2.705 . . . . 0.0 113.957 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.3 90.17 Favored Glycine 0 CA--C 1.478 -2.258 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.022 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.9 79.42 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.126 2.551 . . . . 0.0 110.925 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.653 0 O-C-N 122.884 0.939 . . . . 0.0 113.423 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.727 0 O-C-N 120.0 -1.688 . . . . 0.0 112.199 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.44 28.87 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.523 -1.361 . . . . 0.0 112.021 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.266 1.984 . . . . 0.0 115.67 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.26 50.95 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.481 1.037 . . . . 0.0 109.995 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.148 1.53 . . . . 0.0 111.904 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.94 19.73 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.715 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.374 2.893 . . . . 0.0 117.551 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.34 37.49 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.033 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.04 36.67 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.015 1.447 . . . . 0.0 109.972 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.2 29.94 Favored 'General case' 0 C--O 1.265 1.881 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.28 Favored Glycine 0 CA--C 1.492 -1.389 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.58 17.01 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.002 -1.881 . . . . 0.0 108.002 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.25 79.39 Favored 'General case' 0 C--O 1.202 -1.409 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.76 Favored 'General case' 0 C--O 1.269 2.087 0 C-N-CA 117.343 -1.743 . . . . 0.0 112.152 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.26 70.61 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.493 1.139 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.66 51.56 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.953 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.41 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 121.595 1.998 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.138 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.08 2.113 . . . . 0.0 109.527 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.71 143.03 26.42 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.218 1.485 . . . . 0.0 109.257 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.68 52.16 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.7 19.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 114.717 -2.563 . . . . 0.0 105.72 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.72 46.55 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.41 2.944 . . . . 0.0 105.873 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.523 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.181 0.515 . . . . 0.0 109.769 178.464 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.87 38.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.252 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.476 -179.208 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 126.98 2.675 . . . . 0.0 108.894 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.436 4.835 . . . . 0.0 108.761 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.17 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.485 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.54 41.23 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.338 4.149 . . . . 0.0 108.04 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.73 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.081 0.863 . . . . 0.0 112.596 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.823 -2.351 . . . . 0.0 112.013 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.58 80.25 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.119 -1.613 . . . . 0.0 116.13 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.06 34.52 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.77 55.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 126.615 2.447 . . . . 0.0 106.045 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.55 141.95 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.587 3.055 . . . . 0.0 109.03 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.39 139.81 36.54 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.284 -1.766 . . . . 0.0 108.198 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.02 44.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.467 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.19 44.38 Favored 'General case' 0 N--CA 1.499 1.977 1 O-C-N 129.236 4.085 . . . . 0.0 103.595 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.67 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.74 3.15 . . . . 0.0 111.205 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.54 37.82 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.31 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.29 Favored 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 122.582 2.188 . . . . 0.0 111.953 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.872 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.885 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.38 21.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.172 2.795 . . . . 0.0 110.355 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.4 79.04 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.335 -0.853 . . . . 0.0 110.68 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.8 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.304 1.042 . . . . 0.0 111.54 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.4 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.059 1.474 . . . . 0.0 109.324 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.97 83.78 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.06 87.16 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.024 0.374 . . . . 0.0 111.217 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.26 86.85 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.367 -1.458 . . . . 0.0 110.757 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.45 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.549 2.595 . . . . 0.0 109.022 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.42 17.95 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.12 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 123.097 2.68 . . . . 0.0 113.963 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.839 2.295 . . . . 0.0 118.839 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.85 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.158 2.572 . . . . 0.0 110.93 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.2 92.78 Favored 'Trans proline' 0 C--O 1.262 1.692 0 C-N-CA 120.709 0.939 . . . . 0.0 113.429 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.16 -15.6 63.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 119.963 -1.711 . . . . 0.0 112.185 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.47 28.91 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.551 -1.343 . . . . 0.0 112.042 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.276 1.989 . . . . 0.0 115.642 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.97 24.04 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 119.476 1.034 . . . . 0.0 109.975 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.21 1.569 . . . . 0.0 111.862 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.02 19.39 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.23 -2.259 . . . . 0.0 110.753 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 128.355 2.883 . . . . 0.0 117.504 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.44 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.056 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.03 36.69 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.014 1.446 . . . . 0.0 109.961 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.86 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.11 0 O-C-N 120.002 -1.881 . . . . 0.0 108.026 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.24 79.32 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.61 70.79 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.312 -1.755 . . . . 0.0 112.172 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.29 70.69 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.451 1.12 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 117.623 -1.18 . . . . 0.0 112.939 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.33 18.46 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 121.584 1.993 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.071 2.107 . . . . 0.0 109.487 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 20.0 pttt -54.75 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.21 1.481 . . . . 0.0 109.266 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.19 10.65 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.57 34.43 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.71 52.16 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.699 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.463 2.977 . . . . 0.0 105.875 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.81 30.83 Favored 'General case' 0 C--O 1.282 2.8 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.51 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.197 0.522 . . . . 0.0 109.805 178.489 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.8 37.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.307 0 CA-C-O 113.354 -3.212 . . . . 0.0 105.497 179.479 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.961 2.663 . . . . 0.0 108.941 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.08 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.441 4.838 . . . . 0.0 108.758 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.503 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.47 41.2 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.369 4.168 . . . . 0.0 108.078 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.97 49.72 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.034 0.834 . . . . 0.0 112.603 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.03 30.15 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.005 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.44 80.38 Favored Glycine 0 C--N 1.298 -1.58 0 O-C-N 120.17 -1.581 . . . . 0.0 116.171 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.03 34.47 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 126.576 2.422 . . . . 0.0 106.022 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.99 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 127.574 3.046 . . . . 0.0 109.008 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.79 36.59 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.26 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.49 154.02 44.33 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.395 -2.241 . . . . 0.0 108.454 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.36 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.16 4.037 . . . . 0.0 103.57 174.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 O-C-N 127.676 3.11 . . . . 0.0 111.224 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.7 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.342 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.41 39.09 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.556 2.171 . . . . 0.0 111.974 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.21 59.16 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.882 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 117.369 -1.732 . . . . 0.0 109.854 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 O-C-N 127.19 2.806 . . . . 0.0 110.374 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.55 -40.53 79.09 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.341 -0.849 . . . . 0.0 110.73 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.4 -44.51 87.22 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 111.491 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.46 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.033 1.458 . . . . 0.0 109.281 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.04 83.85 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.03 87.26 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.001 0.364 . . . . 0.0 111.255 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.427 -1.421 . . . . 0.0 110.799 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.54 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.484 2.564 . . . . 0.0 108.978 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.782 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.41 17.92 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.093 2.679 . . . . 0.0 113.934 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.479 -2.215 0 N-CA-C 118.825 2.29 . . . . 0.0 118.825 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.86 83.37 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.776 -1.17 . . . . 0.0 111.043 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.12 2.546 . . . . 0.0 110.975 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.25 -32.12 92.73 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.702 0.935 . . . . 0.0 113.448 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.977 -1.702 . . . . 0.0 112.166 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.48 28.87 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.514 -1.366 . . . . 0.0 112.055 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.64 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.294 1.997 . . . . 0.0 115.625 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.99 24.09 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.65 130.25 51.08 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.492 1.042 . . . . 0.0 109.991 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.165 1.54 . . . . 0.0 111.916 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.65 18.86 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.52 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 112.237 -2.256 . . . . 0.0 110.777 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.88 21.46 61.1 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.351 2.881 . . . . 0.0 117.541 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.63 46.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.52 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.025 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.71 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 125.108 1.505 . . . . 0.0 109.981 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.18 29.81 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.28 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.088 1.195 . . . . 0.0 116.088 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.59 16.99 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.993 -1.886 . . . . 0.0 107.976 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.62 164.57 11.67 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.22 79.23 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.57 70.73 Favored 'General case' 0 C--O 1.269 2.083 0 C-N-CA 117.263 -1.775 . . . . 0.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 122.51 1.147 . . . . 0.0 110.747 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.0 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.36 18.48 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 121.543 1.974 . . . . 0.0 111.175 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.107 -2.378 . . . . 0.0 106.185 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.091 2.12 . . . . 0.0 109.499 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -54.75 143.02 26.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.211 1.482 . . . . 0.0 109.25 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.11 10.61 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.54 34.52 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.68 52.11 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.66 19.1 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.714 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.35 2.906 . . . . 0.0 105.891 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.77 30.77 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.471 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.93 28.45 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 109.817 178.446 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.21 36.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.473 -179.744 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.956 2.66 . . . . 0.0 108.902 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.02 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.512 2.661 1 O-C-N 130.425 4.828 . . . . 0.0 108.803 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.439 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.49 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.4 4.187 . . . . 0.0 108.067 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.9 49.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.097 0.873 . . . . 0.0 112.544 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.07 30.02 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.009 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.149 -1.594 . . . . 0.0 116.128 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.08 34.36 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 175.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.75 55.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.605 2.441 . . . . 0.0 106.049 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.02 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.596 3.06 . . . . 0.0 109.05 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.83 36.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.232 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.03 44.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.81 121.19 44.39 Favored 'General case' 0 N--CA 1.498 1.958 1 O-C-N 129.181 4.05 . . . . 0.0 103.596 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.62 15.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.698 3.124 . . . . 0.0 111.242 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.2 -2.273 . . . . 0.0 106.355 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.47 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.509 2.139 . . . . 0.0 111.957 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.851 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.58 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.18 2.8 . . . . 0.0 110.377 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.48 79.16 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.362 -0.836 . . . . 0.0 110.71 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.48 86.98 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 124.343 1.057 . . . . 0.0 111.501 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.028 1.455 . . . . 0.0 109.29 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.97 83.92 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.05 87.32 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 117.992 0.36 . . . . 0.0 111.21 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.2 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 120.428 -1.42 . . . . 0.0 110.829 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.52 77.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.62 79.26 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.495 2.569 . . . . 0.0 108.985 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.704 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.46 17.95 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.114 2.688 . . . . 0.0 113.958 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.26 5.3 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.82 83.43 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 118.761 -1.176 . . . . 0.0 111.029 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.117 2.544 . . . . 0.0 110.943 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.72 0 C-N-CA 120.7 0.933 . . . . 0.0 113.403 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.78 0 O-C-N 119.95 -1.719 . . . . 0.0 112.229 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.79 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.535 -1.353 . . . . 0.0 112.026 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 124.303 2.001 . . . . 0.0 115.671 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.9 23.86 Favored 'General case' 0 C--O 1.296 3.509 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.93 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.479 1.036 . . . . 0.0 109.979 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.146 1.529 . . . . 0.0 111.893 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.7 18.95 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.95 19.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.214 -2.266 . . . . 0.0 110.825 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.373 2.892 . . . . 0.0 117.469 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.804 -2.665 . . . . 0.0 103.804 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 117.757 -1.115 . . . . 0.0 109.982 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 125.081 1.488 . . . . 0.0 109.923 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.83 85.28 Favored Glycine 0 CA--C 1.492 -1.355 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 120.009 -1.877 . . . . 0.0 108.025 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.54 11.68 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.09 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.97 -29.55 70.7 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.299 -1.76 . . . . 0.0 112.193 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.31 70.59 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.451 1.119 . . . . 0.0 110.679 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.38 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.981 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.31 18.47 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.56 1.982 . . . . 0.0 111.211 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.169 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.102 2.126 . . . . 0.0 109.543 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 19.3 ptpt -54.78 143.02 26.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.267 1.508 . . . . 0.0 109.23 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.97 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 117.935 2.568 . . . . 0.0 117.935 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.681 -2.581 . . . . 0.0 105.757 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.5 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.945 . . . . 0.0 105.882 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.97 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.532 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 178.497 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.79 36.04 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.269 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.51 -179.361 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 127.013 2.695 . . . . 0.0 108.939 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.0 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.465 4.853 . . . . 0.0 108.821 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.371 -3.204 . . . . 0.0 105.495 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.44 41.17 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.424 4.203 . . . . 0.0 108.058 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.69 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.071 0.857 . . . . 0.0 112.567 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.808 -2.357 . . . . 0.0 111.98 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.56 80.28 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.137 -1.602 . . . . 0.0 116.094 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.45 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.628 2.455 . . . . 0.0 105.967 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 127.544 3.028 . . . . 0.0 109.102 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.68 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.215 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.06 44.17 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 115.386 -2.245 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.119 4.012 . . . . 0.0 103.562 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 O-C-N 127.689 3.118 . . . . 0.0 111.21 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.48 37.56 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.179 -2.282 . . . . 0.0 106.325 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.4 38.76 Favored 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 122.551 2.167 . . . . 0.0 111.944 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.98 -8.12 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.914 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.311 -1.756 . . . . 0.0 109.864 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.45 21.17 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.221 2.826 . . . . 0.0 110.39 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.2 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.37 -0.831 . . . . 0.0 110.699 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.17 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.297 1.039 . . . . 0.0 111.549 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.37 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 125.057 1.473 . . . . 0.0 109.263 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.94 83.81 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.778 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.278 2.559 0 CA-C-N 117.97 0.35 . . . . 0.0 111.227 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.24 86.81 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 120.401 -1.437 . . . . 0.0 110.815 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.52 77.49 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.62 79.26 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 125.514 2.578 . . . . 0.0 109.014 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.754 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.091 2.678 . . . . 0.0 113.983 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.911 2.325 . . . . 0.0 118.911 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.92 83.27 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.045 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.77 Favored 'Trans proline' 0 C--O 1.258 1.512 0 C-N-CA 123.177 2.585 . . . . 0.0 110.94 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.664 0 O-C-N 122.851 0.922 . . . . 0.0 113.434 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.774 0 O-C-N 119.966 -1.709 . . . . 0.0 112.229 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.42 29.03 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.524 -1.36 . . . . 0.0 112.011 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.69 34.77 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 124.304 2.002 . . . . 0.0 115.647 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.87 23.83 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.24 50.9 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.483 1.038 . . . . 0.0 109.948 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.81 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 125.133 1.52 . . . . 0.0 111.863 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.95 19.52 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.819 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.08 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.313 2.864 . . . . 0.0 117.508 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.33 37.43 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 117.762 -1.114 . . . . 0.0 110.001 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.75 139.99 36.65 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.067 1.479 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.88 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.423 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.58 16.99 Favored 'General case' 0 C--O 1.25 1.102 0 O-C-N 119.998 -1.884 . . . . 0.0 108.005 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.2 79.26 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.349 -1.74 . . . . 0.0 112.135 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.31 70.56 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.41 1.1 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.67 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.644 -1.17 . . . . 0.0 112.956 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.561 1.982 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.42 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.161 -2.352 . . . . 0.0 106.186 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.068 2.105 . . . . 0.0 109.568 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.74 143.06 26.5 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 123.224 1.488 . . . . 0.0 109.281 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.21 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.51 34.53 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.739 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.409 2.943 . . . . 0.0 105.869 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.482 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 178.449 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.64 36.24 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 -179.623 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 127.032 2.708 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 115.953 -1.975 . . . . 0.0 105.702 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.99 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.469 4.856 . . . . 0.0 108.812 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.477 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.52 41.24 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.94 49.55 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 124.039 0.837 . . . . 0.0 112.575 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.811 -2.356 . . . . 0.0 111.998 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.32 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.097 -1.627 . . . . 0.0 116.088 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.38 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 126.544 2.402 . . . . 0.0 106.03 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 127.631 3.082 . . . . 0.0 109.068 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.66 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.238 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.431 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.265 4.103 . . . . 0.0 103.563 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 O-C-N 127.737 3.148 . . . . 0.0 111.178 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.69 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.143 -2.298 . . . . 0.0 106.317 174.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 122.5 2.133 . . . . 0.0 111.96 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.91 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.46 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.843 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.17 2.794 . . . . 0.0 110.372 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.43 78.98 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.378 -0.826 . . . . 0.0 110.763 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.47 87.06 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.336 1.055 . . . . 0.0 111.507 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 125.023 1.452 . . . . 0.0 109.342 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.97 83.7 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.762 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.968 0.349 . . . . 0.0 111.152 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.31 87.04 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.358 -1.464 . . . . 0.0 110.829 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.53 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.531 2.586 . . . . 0.0 109.014 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.65 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.749 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.618 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.64 -6.34 8.06 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.132 2.696 . . . . 0.0 114.006 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.894 2.318 . . . . 0.0 118.894 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.81 124.87 83.17 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.109 2.539 . . . . 0.0 110.952 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.18 92.74 Favored 'Trans proline' 0 C--O 1.262 1.681 0 O-C-N 122.878 0.936 . . . . 0.0 113.438 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.6 63.64 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.77 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.511 -1.368 . . . . 0.0 112.054 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.72 34.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.304 2.002 . . . . 0.0 115.614 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.89 Favored 'General case' 0 C--O 1.296 3.543 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 51.0 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 119.448 1.022 . . . . 0.0 110.002 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.153 1.533 . . . . 0.0 111.88 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.795 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.08 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.363 2.887 . . . . 0.0 117.495 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.61 46.4 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.592 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.61 138.4 37.42 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.985 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 125.01 1.444 . . . . 0.0 109.98 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.69 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.03 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 119.954 -1.909 . . . . 0.0 107.959 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.17 79.25 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.183 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.51 -39.34 70.37 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.5 1.143 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.62 51.56 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.718 -1.134 . . . . 0.0 113.026 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.41 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 121.551 1.978 . . . . 0.0 111.209 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.072 -2.395 . . . . 0.0 106.186 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.131 2.145 . . . . 0.0 109.521 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 18.9 ptpt -54.78 143.0 26.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.226 1.489 . . . . 0.0 109.281 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.497 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.97 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.46 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.69 52.11 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.69 19.04 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.678 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.71 135.77 46.53 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.42 2.95 . . . . 0.0 105.852 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.78 30.78 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.619 -1.181 . . . . 0.0 111.465 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.163 0.506 . . . . 0.0 109.801 178.458 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.17 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.24 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.486 -178.728 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.2 31.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.96 2.662 . . . . 0.0 108.932 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.02 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.512 2.646 1 O-C-N 130.449 4.843 . . . . 0.0 108.794 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.421 -3.181 . . . . 0.0 105.485 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.415 4.197 . . . . 0.0 108.051 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.74 8.4 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.054 0.846 . . . . 0.0 112.614 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.07 30.0 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.014 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.44 80.41 Favored Glycine 0 C--N 1.298 -1.538 0 O-C-N 120.107 -1.62 . . . . 0.0 116.132 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.04 34.48 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.77 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.593 2.433 . . . . 0.0 106.024 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.96 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 127.624 3.078 . . . . 0.0 109.049 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.229 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 115.379 -2.248 . . . . 0.0 108.473 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.192 4.058 . . . . 0.0 103.545 174.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.67 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.678 3.111 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.49 37.77 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.281 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.44 39.31 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.538 2.159 . . . . 0.0 111.97 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.894 -177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.52 47.45 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.847 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.26 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 127.192 2.807 . . . . 0.0 110.401 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.44 78.95 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.366 -0.833 . . . . 0.0 110.696 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.53 86.78 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.353 1.061 . . . . 0.0 111.468 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.44 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 125.09 1.494 . . . . 0.0 109.288 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.99 83.79 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.766 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.99 87.11 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 118.047 0.385 . . . . 0.0 111.216 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.21 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 120.345 -1.472 . . . . 0.0 110.77 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.47 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.36 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.5 2.572 . . . . 0.0 108.983 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.72 66.48 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.712 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.644 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.38 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.109 2.686 . . . . 0.0 113.965 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.317 0 N-CA-C 118.887 2.315 . . . . 0.0 118.887 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.77 124.82 83.26 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.823 -1.151 . . . . 0.0 111.008 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.124 2.549 . . . . 0.0 110.888 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.76 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 122.908 0.951 . . . . 0.0 113.414 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.55 63.62 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.997 -1.689 . . . . 0.0 112.18 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.507 -1.371 . . . . 0.0 112.032 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.29 1.995 . . . . 0.0 115.647 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.23 50.93 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.453 1.024 . . . . 0.0 109.988 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.86 72.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.141 1.526 . . . . 0.0 111.924 -177.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.65 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 112.233 -2.258 . . . . 0.0 110.762 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.61 61.09 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.361 2.886 . . . . 0.0 117.5 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.051 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.02 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.031 1.457 . . . . 0.0 110.0 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.21 29.49 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.84 85.23 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.087 1.195 . . . . 0.0 116.087 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.966 -1.902 . . . . 0.0 107.969 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.22 79.29 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.269 -1.772 . . . . 0.0 112.174 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.34 70.51 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 122.461 1.124 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.979 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.557 1.981 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.46 30.38 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.108 -2.377 . . . . 0.0 106.17 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.47 169.54 8.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.138 2.149 . . . . 0.0 109.538 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.544 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.06 26.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.212 1.482 . . . . 0.0 109.227 -176.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.16 10.63 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.49 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.68 135.77 46.5 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.381 2.925 . . . . 0.0 105.906 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 117.621 -1.18 . . . . 0.0 111.532 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.163 0.506 . . . . 0.0 109.813 178.479 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.05 39.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.272 0 CA-C-O 113.377 -3.201 . . . . 0.0 105.477 179.553 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.965 2.666 . . . . 0.0 108.898 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 173.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.435 4.834 . . . . 0.0 108.787 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.471 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.45 41.22 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.41 4.194 . . . . 0.0 108.035 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.76 8.39 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.96 49.67 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.085 0.866 . . . . 0.0 112.575 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.02 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.84 -2.344 . . . . 0.0 111.987 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.298 -1.57 0 O-C-N 120.113 -1.617 . . . . 0.0 116.129 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.04 34.46 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 174.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.32 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 126.619 2.45 . . . . 0.0 106.014 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.0 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.572 3.045 . . . . 0.0 109.034 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.2 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.04 44.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.424 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.27 44.58 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.169 4.043 . . . . 0.0 103.545 173.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 O-C-N 127.669 3.106 . . . . 0.0 111.194 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.138 -2.301 . . . . 0.0 106.356 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 122.575 2.183 . . . . 0.0 112.003 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.857 -177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.52 47.49 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.889 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.3 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 127.166 2.791 . . . . 0.0 110.394 175.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.45 79.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.369 -0.832 . . . . 0.0 110.742 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.46 86.88 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.341 1.056 . . . . 0.0 111.542 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.38 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 125.05 1.469 . . . . 0.0 109.341 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.96 83.84 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.773 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.01 87.02 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.98 0.355 . . . . 0.0 111.245 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.356 -1.465 . . . . 0.0 110.787 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.52 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.46 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.554 2.597 . . . . 0.0 109.012 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.694 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.33 8.1 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.1 2.682 . . . . 0.0 113.958 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.911 2.324 . . . . 0.0 118.911 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.4 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.988 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.119 2.546 . . . . 0.0 110.955 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.16 92.75 Favored 'Trans proline' 0 C--O 1.262 1.716 0 O-C-N 122.856 0.924 . . . . 0.0 113.375 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.969 -1.707 . . . . 0.0 112.202 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.481 -1.387 . . . . 0.0 112.009 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.278 1.989 . . . . 0.0 115.654 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.26 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.436 1.016 . . . . 0.0 110.022 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.77 72.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.164 1.54 . . . . 0.0 111.89 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.0 19.58 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.297 -2.229 . . . . 0.0 110.743 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.62 61.12 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.398 2.904 . . . . 0.0 117.49 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.12 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.35 37.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.023 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.73 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 125.073 1.483 . . . . 0.0 109.924 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.24 29.17 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.747 3.61 . . . . 0.0 120.747 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.88 85.24 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.015 -1.873 . . . . 0.0 108.021 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.63 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.13 -36.24 79.23 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.179 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.27 70.64 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.454 1.121 . . . . 0.0 110.723 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.002 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.51 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 121.52 1.964 . . . . 0.0 111.176 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.173 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.5 8.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.102 2.126 . . . . 0.0 109.529 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.73 143.06 26.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.186 1.47 . . . . 0.0 109.262 -176.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.88 19.19 10.67 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.71 52.25 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.728 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.39 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.443 2.964 . . . . 0.0 105.924 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.79 Favored 'General case' 0 C--O 1.283 2.832 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.478 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.87 28.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.192 0.52 . . . . 0.0 109.828 178.488 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.91 35.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.226 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.528 179.222 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 127.0 2.687 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.416 4.823 . . . . 0.0 108.76 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.51 41.25 Favored 'General case' 0 N--CA 1.505 2.286 1 O-C-N 129.381 4.176 . . . . 0.0 108.05 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.84 49.04 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.044 0.84 . . . . 0.0 112.56 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.796 -2.362 . . . . 0.0 112.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.53 80.33 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 120.117 -1.614 . . . . 0.0 116.143 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.07 34.49 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.33 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 126.546 2.404 . . . . 0.0 106.016 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 127.586 3.054 . . . . 0.0 109.078 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.7 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 117.252 -1.779 . . . . 0.0 108.232 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.98 44.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 115.377 -2.249 . . . . 0.0 108.434 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.15 44.31 Favored 'General case' 0 N--CA 1.498 1.966 1 O-C-N 129.17 4.044 . . . . 0.0 103.61 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.01 170.64 15.88 Favored 'Isoleucine or valine' 0 C--O 1.251 1.148 0 O-C-N 127.7 3.125 . . . . 0.0 111.201 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.49 37.72 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.097 -2.319 . . . . 0.0 106.326 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.49 39.42 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.507 2.138 . . . . 0.0 111.918 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.13 59.12 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.874 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.44 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.875 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.42 21.2 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.214 2.821 . . . . 0.0 110.37 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.362 -0.836 . . . . 0.0 110.72 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.55 -44.37 86.99 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.264 1.026 . . . . 0.0 111.574 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.39 -46.45 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.069 1.481 . . . . 0.0 109.308 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.8 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.98 87.04 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-N 118.019 0.372 . . . . 0.0 111.251 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.26 86.88 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.387 -1.446 . . . . 0.0 110.83 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.53 79.57 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.565 2.602 . . . . 0.0 109.044 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.71 66.71 Favored 'General case' 0 C--O 1.254 1.33 0 CA-C-N 113.659 -1.61 . . . . 0.0 111.747 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.978 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.39 90.1 Favored Glycine 0 CA--C 1.477 -2.297 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.84 83.38 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.068 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.164 2.576 . . . . 0.0 110.953 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.77 Favored 'Trans proline' 0 C--O 1.262 1.714 0 C-N-CA 120.702 0.935 . . . . 0.0 113.396 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 119.938 -1.726 . . . . 0.0 112.218 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.48 28.74 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.485 -1.384 . . . . 0.0 112.048 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.71 129.65 34.8 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.305 2.002 . . . . 0.0 115.638 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 116.01 24.07 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.67 130.3 51.12 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.487 1.04 . . . . 0.0 109.981 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.86 72.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 125.16 1.537 . . . . 0.0 111.861 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.64 18.86 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.02 19.6 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.791 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 21.6 60.91 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.385 2.898 . . . . 0.0 117.515 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 103.795 -2.669 . . . . 0.0 103.795 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.38 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.034 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.112 1.508 . . . . 0.0 110.008 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.73 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.697 3.592 . . . . 0.0 120.697 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.422 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.04 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 119.955 -1.909 . . . . 0.0 108.009 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.54 11.67 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.2 79.16 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.133 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.25 70.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.485 1.136 . . . . 0.0 110.72 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.76 51.3 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.941 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.82 45.39 18.67 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.572 1.987 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.124 -2.369 . . . . 0.0 106.164 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.56 8.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.119 2.137 . . . . 0.0 109.539 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 12.0 mtpt -54.73 143.03 26.51 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.222 1.487 . . . . 0.0 109.262 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.67 52.07 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 118.294 -0.86 . . . . 0.0 108.68 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.752 -2.547 . . . . 0.0 105.724 174.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.47 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.891 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.546 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.171 0.51 . . . . 0.0 109.852 178.446 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.263 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.515 -179.029 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 126.956 2.66 . . . . 0.0 108.949 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.517 4.886 . . . . 0.0 108.794 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.499 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.44 41.22 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.384 4.177 . . . . 0.0 108.012 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.368 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.95 49.64 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.014 0.821 . . . . 0.0 112.604 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 115.8 -2.36 . . . . 0.0 111.993 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.116 -1.615 . . . . 0.0 116.085 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.72 55.3 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 126.65 2.469 . . . . 0.0 106.013 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.584 3.053 . . . . 0.0 109.037 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.233 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.407 -2.235 . . . . 0.0 108.452 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.26 44.57 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.153 4.033 . . . . 0.0 103.608 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.65 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 O-C-N 127.694 3.121 . . . . 0.0 111.229 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 112.148 -2.297 . . . . 0.0 106.28 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.47 39.34 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.567 2.178 . . . . 0.0 111.915 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.17 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.903 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.877 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.49 21.21 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.25 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.178 2.799 . . . . 0.0 110.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.337 -0.852 . . . . 0.0 110.704 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.43 87.02 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.36 1.064 . . . . 0.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.45 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.089 1.493 . . . . 0.0 109.34 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.789 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.07 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.407 -1.433 . . . . 0.0 110.834 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.38 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 125.477 2.561 . . . . 0.0 109.0 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.72 66.57 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.718 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.44 17.92 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.3 8.1 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 123.076 2.671 . . . . 0.0 113.96 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.32 90.17 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.89 2.316 . . . . 0.0 118.89 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.66 124.83 83.45 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.206 2.604 . . . . 0.0 110.889 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.67 Favored 'Trans proline' 0 C--O 1.262 1.683 0 O-C-N 122.888 0.941 . . . . 0.0 113.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.56 63.62 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 119.969 -1.707 . . . . 0.0 112.242 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.92 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.531 -1.356 . . . . 0.0 112.045 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.64 34.8 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.336 2.017 . . . . 0.0 115.647 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.94 23.96 Favored 'General case' 0 C--O 1.297 3.571 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.499 1.045 . . . . 0.0 109.986 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.05 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 125.183 1.552 . . . . 0.0 111.9 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.87 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.07 19.4 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.249 -2.25 . . . . 0.0 110.804 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.364 2.888 . . . . 0.0 117.511 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.6 46.42 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 103.789 -2.671 . . . . 0.0 103.789 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.31 37.44 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.045 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 140.0 36.67 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.025 1.453 . . . . 0.0 109.971 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.14 29.43 Favored 'General case' 0 C--O 1.265 1.88 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.22 Favored Glycine 0 CA--C 1.492 -1.346 0 N-CA-C 116.076 1.19 . . . . 0.0 116.076 -177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.53 17.03 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 120.07 -1.841 . . . . 0.0 108.031 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.15 79.26 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.74 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 117.329 -1.749 . . . . 0.0 112.15 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.28 70.48 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.464 1.126 . . . . 0.0 110.701 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.69 51.5 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.946 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.4 18.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.578 1.99 . . . . 0.0 111.205 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.103 2.127 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -54.71 142.98 26.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.215 1.483 . . . . 0.0 109.25 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.12 10.59 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.52 34.51 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.67 52.14 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.66 19.08 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 114.689 -2.577 . . . . 0.0 105.739 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 127.399 2.937 . . . . 0.0 105.916 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.841 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.51 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.98 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.202 0.525 . . . . 0.0 109.808 178.497 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.24 36.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.271 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.525 -177.641 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 126.956 2.66 . . . . 0.0 108.959 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 173.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.464 4.853 . . . . 0.0 108.764 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.5 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.44 41.2 Favored 'General case' 0 N--CA 1.504 2.257 1 O-C-N 129.417 4.198 . . . . 0.0 108.096 -178.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.9 49.35 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 124.067 0.854 . . . . 0.0 112.629 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.798 -2.361 . . . . 0.0 111.958 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.51 80.31 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.161 -1.587 . . . . 0.0 116.111 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.631 2.457 . . . . 0.0 105.987 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.611 3.069 . . . . 0.0 109.036 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.78 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.195 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.02 44.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.433 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.24 44.49 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.209 4.068 . . . . 0.0 103.561 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.65 15.72 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.671 3.107 . . . . 0.0 111.23 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.18 -2.282 . . . . 0.0 106.339 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.536 2.157 . . . . 0.0 111.96 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.895 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.45 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.88 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.189 2.806 . . . . 0.0 110.387 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.47 79.13 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.386 -0.821 . . . . 0.0 110.707 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.13 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 124.331 1.052 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.46 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.88 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 117.97 0.35 . . . . 0.0 111.239 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.28 86.91 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 120.424 -1.422 . . . . 0.0 110.755 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.49 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.57 79.37 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 125.488 2.566 . . . . 0.0 108.991 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.754 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.45 17.93 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.34 8.09 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.118 2.69 . . . . 0.0 113.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.3 90.16 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.9 83.34 Favored Pre-proline 0 C--O 1.243 0.756 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.026 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.91 79.55 Favored 'Trans proline' 0 C--O 1.26 1.584 0 C-N-CA 123.142 2.561 . . . . 0.0 110.952 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.73 Favored 'Trans proline' 0 C--O 1.262 1.694 0 O-C-N 122.863 0.928 . . . . 0.0 113.436 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.002 -1.687 . . . . 0.0 112.226 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.465 -1.397 . . . . 0.0 112.017 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.32 2.009 . . . . 0.0 115.656 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.97 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.446 1.021 . . . . 0.0 109.952 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.16 131.84 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.149 1.531 . . . . 0.0 111.929 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.71 18.97 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 45.98 19.29 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.62 61.09 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.313 2.863 . . . . 0.0 117.551 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.64 46.38 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.4 37.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.042 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.0 36.73 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.051 1.47 . . . . 0.0 109.98 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.21 30.09 Favored 'General case' 0 C--O 1.266 1.94 0 N-CA-C 120.675 3.583 . . . . 0.0 120.675 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.88 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.58 17.02 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.009 -1.877 . . . . 0.0 107.965 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.24 79.35 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.57 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.203 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.31 70.68 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 122.487 1.137 . . . . 0.0 110.74 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.995 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 121.555 1.98 . . . . 0.0 111.19 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.12 -2.372 . . . . 0.0 106.155 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 126.142 2.151 . . . . 0.0 109.56 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.474 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.08 26.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.194 1.473 . . . . 0.0 109.275 -176.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.15 10.67 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.948 2.573 . . . . 0.0 117.948 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.695 175.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.401 2.938 . . . . 0.0 105.88 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.79 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.475 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.216 0.531 . . . . 0.0 109.814 178.434 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.94 38.5 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.302 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.512 179.435 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.686 . . . . 0.0 108.928 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.25 49.41 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.508 4.88 . . . . 0.0 108.759 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.519 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.505 2.317 1 O-C-N 129.429 4.206 . . . . 0.0 108.049 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.37 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.092 0.87 . . . . 0.0 112.612 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.44 15.08 29.98 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.872 -2.331 . . . . 0.0 112.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.5 80.4 Favored Glycine 0 C--N 1.298 -1.566 0 O-C-N 120.094 -1.629 . . . . 0.0 116.052 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.07 34.41 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.587 2.43 . . . . 0.0 106.043 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.615 3.072 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.197 -1.801 . . . . 0.0 108.231 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.96 44.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.431 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.27 44.59 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.204 4.065 . . . . 0.0 103.553 173.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 127.653 3.096 . . . . 0.0 111.214 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.52 37.7 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.13 -2.304 . . . . 0.0 106.363 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.42 39.52 Favored 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 122.512 2.141 . . . . 0.0 111.934 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.913 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.46 47.58 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.341 -1.743 . . . . 0.0 109.922 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.44 21.28 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.181 2.8 . . . . 0.0 110.361 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.49 79.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.376 -0.828 . . . . 0.0 110.747 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.4 87.17 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.367 1.067 . . . . 0.0 111.511 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.45 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.09 1.493 . . . . 0.0 109.292 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.12 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.015 0.371 . . . . 0.0 111.207 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.376 -1.452 . . . . 0.0 110.779 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.56 77.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.41 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.519 2.58 . . . . 0.0 108.97 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.73 66.41 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.737 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.825 -1.15 . . . . 0.0 111.03 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.87 79.26 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.182 2.588 . . . . 0.0 110.942 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.13 -32.22 92.73 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.871 0.932 . . . . 0.0 113.422 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.49 63.6 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 119.902 -1.748 . . . . 0.0 112.206 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.46 28.72 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.489 -1.382 . . . . 0.0 112.08 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 124.346 2.022 . . . . 0.0 115.613 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.9 23.85 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 172.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.28 50.94 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.504 1.047 . . . . 0.0 110.002 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.77 72.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.136 1.522 . . . . 0.0 111.925 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.04 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.97 19.49 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.768 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.62 61.02 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.343 2.878 . . . . 0.0 117.51 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.2 34.62 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.35 37.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.02 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 139.93 36.77 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.115 1.51 . . . . 0.0 109.913 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.2 29.2 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 -175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.89 85.21 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.57 17.06 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 119.993 -1.887 . . . . 0.0 108.008 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.17 79.19 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.61 70.78 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.14 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.31 70.64 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.437 1.113 . . . . 0.0 110.706 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.66 51.53 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.0 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.95 45.29 18.41 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.524 1.965 . . . . 0.0 111.204 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.21 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.149 -2.358 . . . . 0.0 106.158 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.48 8.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 126.067 2.105 . . . . 0.0 109.515 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 143.03 26.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.185 1.469 . . . . 0.0 109.242 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.17 10.62 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.1 126.73 52.32 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.14 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.725 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.391 2.932 . . . . 0.0 105.885 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.503 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.88 28.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.143 0.496 . . . . 0.0 109.853 178.472 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.35 39.2 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.312 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.519 -179.232 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.015 2.697 . . . . 0.0 108.959 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.511 2.616 1 O-C-N 130.409 4.818 . . . . 0.0 108.788 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.539 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.51 41.23 Favored 'General case' 0 N--CA 1.505 2.304 1 O-C-N 129.394 4.183 . . . . 0.0 108.019 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.17 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.063 0.852 . . . . 0.0 112.581 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.02 30.18 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.83 -2.348 . . . . 0.0 111.955 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.51 80.34 Favored Glycine 0 C--N 1.297 -1.593 0 O-C-N 120.089 -1.632 . . . . 0.0 116.144 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.1 34.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.77 55.32 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.553 2.408 . . . . 0.0 106.031 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 127.559 3.037 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.71 36.75 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.169 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.03 44.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.355 -2.259 . . . . 0.0 108.438 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.27 44.6 Favored 'General case' 0 N--CA 1.498 1.973 1 O-C-N 129.205 4.066 . . . . 0.0 103.601 173.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.6 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.689 3.118 . . . . 0.0 111.204 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.92 144.49 37.55 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.327 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.44 39.25 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 122.532 2.155 . . . . 0.0 111.937 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.09 59.13 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.867 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.49 47.42 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.35 -1.74 . . . . 0.0 109.865 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.37 21.29 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.25 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.206 2.816 . . . . 0.0 110.385 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.362 -0.836 . . . . 0.0 110.729 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.44 86.96 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 111.484 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.45 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 125.072 1.482 . . . . 0.0 109.258 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.98 86.94 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.999 0.363 . . . . 0.0 111.189 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 120.406 -1.433 . . . . 0.0 110.781 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.4 77.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.62 79.15 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.467 2.556 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.51 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.118 2.69 . . . . 0.0 113.926 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.932 2.333 . . . . 0.0 118.932 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.992 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.9 79.46 Favored 'Trans proline' 0 C--O 1.26 1.605 0 C-N-CA 123.155 2.57 . . . . 0.0 110.901 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.14 92.67 Favored 'Trans proline' 0 C--O 1.262 1.695 0 O-C-N 122.861 0.927 . . . . 0.0 113.429 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.58 63.64 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.965 -1.709 . . . . 0.0 112.212 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.529 -1.357 . . . . 0.0 112.061 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.87 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.327 2.013 . . . . 0.0 115.654 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.97 23.96 Favored 'General case' 0 C--O 1.296 3.537 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.07 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.494 1.043 . . . . 0.0 109.955 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.75 72.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 125.21 1.568 . . . . 0.0 111.925 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.05 46.04 19.33 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.775 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.95 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 128.34 2.876 . . . . 0.0 117.5 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.03 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.044 1.465 . . . . 0.0 109.955 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.28 29.46 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.92 85.24 Favored Glycine 0 CA--C 1.492 -1.386 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.14 0 O-C-N 119.956 -1.908 . . . . 0.0 108.012 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.56 11.67 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.16 79.1 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.168 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.36 70.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.476 1.131 . . . . 0.0 110.698 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.65 51.51 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.651 -1.166 . . . . 0.0 112.972 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.4 18.44 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.588 1.994 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 CA-C-O 115.173 -2.346 . . . . 0.0 106.171 175.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.099 2.124 . . . . 0.0 109.502 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -54.78 143.02 26.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.2 1.476 . . . . 0.0 109.271 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.17 10.61 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.51 34.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.687 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.68 19.05 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.738 -2.554 . . . . 0.0 105.727 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.424 2.953 . . . . 0.0 105.905 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.77 30.76 Favored 'General case' 0 C--O 1.281 2.757 0 CA-C-O 117.625 -1.179 . . . . 0.0 111.472 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.07 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.212 0.53 . . . . 0.0 109.83 178.432 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.402 -3.19 . . . . 0.0 105.512 179.789 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 126.961 2.663 . . . . 0.0 108.944 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.632 1 O-C-N 130.436 4.835 . . . . 0.0 108.786 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.2 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.35 4.156 . . . . 0.0 108.081 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.72 8.41 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.01 49.91 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.992 0.808 . . . . 0.0 112.577 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.98 30.26 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.789 -2.364 . . . . 0.0 111.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.33 Favored Glycine 0 C--N 1.297 -1.589 0 O-C-N 120.102 -1.624 . . . . 0.0 116.133 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.0 34.54 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.79 55.38 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.543 2.402 . . . . 0.0 105.991 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.53 142.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.608 3.068 . . . . 0.0 109.064 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.81 36.61 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.224 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.289 -2.291 . . . . 0.0 108.472 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.244 4.09 . . . . 0.0 103.565 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 O-C-N 127.708 3.13 . . . . 0.0 111.201 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.04 144.47 37.71 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.145 -2.298 . . . . 0.0 106.314 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.36 39.23 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.571 2.181 . . . . 0.0 111.978 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.14 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.88 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.49 47.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.878 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.37 21.23 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.17 -37.33 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.223 2.827 . . . . 0.0 110.372 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.44 79.1 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.295 -0.878 . . . . 0.0 110.727 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.51 87.03 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 124.323 1.049 . . . . 0.0 111.525 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 125.117 1.511 . . . . 0.0 109.331 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.98 83.86 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.22 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.987 0.358 . . . . 0.0 111.199 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 120.41 -1.431 . . . . 0.0 110.797 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.56 79.41 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.494 2.569 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.688 -1.597 . . . . 0.0 111.787 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.38 17.96 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.08 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 123.079 2.672 . . . . 0.0 113.972 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.284 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.37 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.02 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.29 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.177 2.584 . . . . 0.0 110.919 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.12 92.55 Favored 'Trans proline' 0 C--O 1.262 1.713 0 C-N-CA 120.694 0.929 . . . . 0.0 113.381 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.52 63.61 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.965 -1.71 . . . . 0.0 112.175 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.477 -1.39 . . . . 0.0 112.04 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.271 1.986 . . . . 0.0 115.616 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.89 23.88 Favored 'General case' 0 C--O 1.295 3.483 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.28 50.91 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.434 1.015 . . . . 0.0 109.935 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.163 1.54 . . . . 0.0 111.898 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.68 18.92 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 112.225 -2.262 . . . . 0.0 110.78 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.01 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 128.368 2.89 . . . . 0.0 117.488 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.67 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.028 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.75 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.051 1.469 . . . . 0.0 109.974 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.89 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.68 3.585 . . . . 0.0 120.68 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.24 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.014 -1.874 . . . . 0.0 107.951 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.27 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.136 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.27 70.66 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.481 1.134 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.75 51.31 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.987 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.552 1.978 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.151 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.061 2.1 . . . . 0.0 109.531 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -54.79 143.05 26.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.227 1.489 . . . . 0.0 109.256 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.2 10.65 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.732 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.204 0 O-C-N 127.466 2.979 . . . . 0.0 105.87 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.835 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.508 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.96 28.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.225 0.535 . . . . 0.0 109.849 178.419 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.18 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.286 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.53 -179.51 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 126.989 2.681 . . . . 0.0 108.93 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.05 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.436 4.835 . . . . 0.0 108.793 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.24 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.479 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.5 41.24 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.453 4.221 . . . . 0.0 108.036 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.57 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.069 0.856 . . . . 0.0 112.591 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.819 -2.352 . . . . 0.0 112.051 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.52 80.36 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.148 -1.595 . . . . 0.0 116.196 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 126.649 2.468 . . . . 0.0 106.048 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.96 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 127.534 3.021 . . . . 0.0 109.058 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.221 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 115.348 -2.263 . . . . 0.0 108.414 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.42 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.255 4.097 . . . . 0.0 103.561 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.229 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.73 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.155 -2.293 . . . . 0.0 106.357 174.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.538 2.159 . . . . 0.0 111.975 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.888 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.878 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.4 21.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.31 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.132 2.77 . . . . 0.0 110.331 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.36 -0.838 . . . . 0.0 110.736 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.46 86.84 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 124.346 1.059 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.48 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.093 1.496 . . . . 0.0 109.318 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.96 83.67 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.762 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.1 87.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 118.027 0.376 . . . . 0.0 111.264 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.383 -1.448 . . . . 0.0 110.816 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.42 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.28 -48.57 79.32 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.473 2.559 . . . . 0.0 108.985 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.72 66.52 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.767 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.95 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.127 2.694 . . . . 0.0 113.952 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.79 83.48 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.83 -1.148 . . . . 0.0 110.999 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.5 Favored 'Trans proline' 0 C--O 1.259 1.564 0 C-N-CA 123.109 2.539 . . . . 0.0 110.933 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.1 92.59 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 120.703 0.936 . . . . 0.0 113.384 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 120.004 -1.685 . . . . 0.0 112.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.9 -10.43 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.52 -1.363 . . . . 0.0 112.005 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.344 2.021 . . . . 0.0 115.657 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.53 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.437 1.017 . . . . 0.0 109.974 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.142 1.526 . . . . 0.0 111.9 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.64 18.9 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.52 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.817 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.52 61.0 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.354 2.883 . . . . 0.0 117.511 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 174.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.788 -1.101 . . . . 0.0 109.988 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.73 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.062 1.476 . . . . 0.0 109.949 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.17 29.32 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.89 85.19 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.53 17.07 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 119.989 -1.889 . . . . 0.0 107.975 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.63 11.61 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.27 79.42 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.311 -1.756 . . . . 0.0 112.205 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.34 70.53 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.494 1.14 . . . . 0.0 110.712 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.67 51.43 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.964 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.43 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.559 1.981 . . . . 0.0 111.162 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.37 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.164 -2.35 . . . . 0.0 106.208 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 0.0 109.517 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.416 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 22.1 pttp -54.73 143.02 26.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.21 1.481 . . . . 0.0 109.236 -176.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.14 10.61 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 118.272 -0.871 . . . . 0.0 108.679 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.709 -2.567 . . . . 0.0 105.715 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 127.397 2.936 . . . . 0.0 105.865 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.501 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.491 . . . . 0.0 109.877 178.439 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.72 34.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.265 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.492 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.991 2.682 . . . . 0.0 108.901 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.14 49.53 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.478 4.861 . . . . 0.0 108.749 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 113.419 -3.182 . . . . 0.0 105.514 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.06 127.52 41.18 Favored 'General case' 0 N--CA 1.505 2.277 1 O-C-N 129.379 4.175 . . . . 0.0 108.007 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.71 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.028 0.83 . . . . 0.0 112.592 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.832 -2.347 . . . . 0.0 111.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.182 -1.574 . . . . 0.0 116.116 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.82 55.32 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.613 2.445 . . . . 0.0 106.0 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.96 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.596 3.06 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.76 36.71 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.211 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.01 44.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.406 -2.235 . . . . 0.0 108.463 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.5 2.033 1 O-C-N 129.167 4.042 . . . . 0.0 103.572 174.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.62 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.195 0 O-C-N 127.698 3.124 . . . . 0.0 111.22 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 112.183 -2.28 . . . . 0.0 106.316 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.5 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 122.566 2.178 . . . . 0.0 112.013 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.82 -8.17 59.12 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.87 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.898 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.185 2.803 . . . . 0.0 110.365 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.47 79.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.354 -0.841 . . . . 0.0 110.735 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.03 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.342 1.057 . . . . 0.0 111.474 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.059 1.474 . . . . 0.0 109.329 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.97 83.65 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.29 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 118.006 0.366 . . . . 0.0 111.201 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.363 -1.461 . . . . 0.0 110.796 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.16 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.512 2.577 . . . . 0.0 109.031 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.71 66.45 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.77 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.09 2.677 . . . . 0.0 113.959 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.46 90.1 Favored Glycine 0 CA--C 1.478 -2.261 0 N-CA-C 118.849 2.299 . . . . 0.0 118.849 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.042 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.89 79.31 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.097 2.531 . . . . 0.0 110.914 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.71 Favored 'Trans proline' 0 C--O 1.261 1.665 0 C-N-CA 120.684 0.923 . . . . 0.0 113.486 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.976 -1.702 . . . . 0.0 112.237 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.78 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.474 -1.392 . . . . 0.0 112.052 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.7 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.624 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.96 24.02 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.25 51.02 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.48 1.036 . . . . 0.0 109.99 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.89 72.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.115 1.51 . . . . 0.0 111.893 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.31 129.66 18.85 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.01 19.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.783 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.53 61.07 Favored Glycine 0 N--CA 1.432 -1.568 0 C-N-CA 128.335 2.874 . . . . 0.0 117.519 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 103.773 -2.677 . . . . 0.0 103.773 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.35 37.43 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.007 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 139.99 36.7 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 125.025 1.453 . . . . 0.0 109.955 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.21 29.7 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.89 85.24 Favored Glycine 0 CA--C 1.492 -1.404 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.6 16.98 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.99 -1.888 . . . . 0.0 108.003 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.23 79.41 Favored 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.268 2.063 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.158 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.29 70.49 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.415 1.102 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.71 51.37 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.35 18.55 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 121.574 1.988 . . . . 0.0 111.216 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.47 30.41 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 CA-C-O 115.136 -2.364 . . . . 0.0 106.19 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.047 2.092 . . . . 0.0 109.482 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.583 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.197 1.475 . . . . 0.0 109.299 -176.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.668 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 114.679 -2.582 . . . . 0.0 105.733 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 127.451 2.97 . . . . 0.0 105.874 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.463 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 175.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.147 0.499 . . . . 0.0 109.842 178.445 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.21 38.14 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.306 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.484 -179.812 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.26 31.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 127.006 2.691 . . . . 0.0 108.909 178.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.456 4.847 . . . . 0.0 108.807 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.531 175.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.387 4.179 . . . . 0.0 108.072 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.77 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.078 0.861 . . . . 0.0 112.581 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 115.771 -2.372 . . . . 0.0 111.948 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.622 0 O-C-N 120.127 -1.608 . . . . 0.0 116.135 179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.582 2.426 . . . . 0.0 106.025 176.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.547 3.029 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.82 36.62 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.289 -1.764 . . . . 0.0 108.215 178.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.425 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.27 44.61 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 129.209 4.068 . . . . 0.0 103.542 174.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.59 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.675 3.109 . . . . 0.0 111.194 -177.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.55 37.7 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.282 174.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.47 39.61 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.585 2.19 . . . . 0.0 111.961 177.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.873 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.876 -179.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.43 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.171 2.794 . . . . 0.0 110.376 175.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.327 -0.858 . . . . 0.0 110.691 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.43 86.88 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.35 1.06 . . . . 0.0 111.492 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.016 1.447 . . . . 0.0 109.299 178.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.93 83.62 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.05 87.11 Favored 'General case' 0 C--O 1.279 2.606 0 CA-C-N 117.998 0.363 . . . . 0.0 111.241 176.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.32 87.04 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.38 -1.45 . . . . 0.0 110.784 176.044 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.4 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.476 2.56 . . . . 0.0 109.012 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.719 179.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.656 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.169 2.713 . . . . 0.0 113.941 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.31 0 N-CA-C 118.881 2.312 . . . . 0.0 118.881 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.88 83.4 Favored Pre-proline 0 C--O 1.244 0.772 0 C-N-CA 118.827 -1.149 . . . . 0.0 111.011 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.68 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.119 2.546 . . . . 0.0 110.952 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.13 92.69 Favored 'Trans proline' 0 C--O 1.262 1.699 0 C-N-CA 120.687 0.925 . . . . 0.0 113.43 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.978 -1.702 . . . . 0.0 112.217 -177.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.56 28.66 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 120.495 -1.378 . . . . 0.0 112.011 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.303 2.002 . . . . 0.0 115.643 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.455 1.025 . . . . 0.0 109.961 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.153 1.533 . . . . 0.0 111.904 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.52 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.22 -2.264 . . . . 0.0 110.789 177.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.58 61.03 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.375 2.893 . . . . 0.0 117.503 -179.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.594 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.018 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.74 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.067 1.48 . . . . 0.0 109.922 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.2 29.84 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.724 3.601 . . . . 0.0 120.724 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -177.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.015 -1.873 . . . . 0.0 108.017 176.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.49 164.55 11.67 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.127 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.56 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.454 1.121 . . . . 0.0 110.737 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.994 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.5 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.586 1.994 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.36 30.18 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.111 -2.376 . . . . 0.0 106.235 175.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.08 2.112 . . . . 0.0 109.522 -176.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.79 143.05 26.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.215 1.484 . . . . 0.0 109.251 -176.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.12 10.61 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.54 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.75 52.29 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.66 19.08 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.731 174.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.67 135.83 46.37 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 127.481 2.988 . . . . 0.0 105.877 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.86 30.91 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.512 176.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.93 28.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.167 0.508 . . . . 0.0 109.837 178.457 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.84 31.66 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.267 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.513 -179.654 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 127.008 2.692 . . . . 0.0 108.866 178.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.471 4.857 . . . . 0.0 108.806 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.01 114.21 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.487 175.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.388 4.18 . . . . 0.0 108.058 -178.157 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.37 -6.99 49.76 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 112.599 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.799 -2.36 . . . . 0.0 112.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.5 80.32 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.146 -1.596 . . . . 0.0 116.121 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.04 34.43 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 174.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.81 55.37 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 126.587 2.429 . . . . 0.0 106.009 176.157 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.04 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 127.577 3.048 . . . . 0.0 109.037 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.75 36.74 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.01 44.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.44 -179.194 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.38 Favored 'General case' 0 N--CA 1.498 1.957 1 O-C-N 129.186 4.054 . . . . 0.0 103.597 173.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 O-C-N 127.657 3.098 . . . . 0.0 111.187 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.321 174.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.45 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.572 2.182 . . . . 0.0 111.932 177.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.12 59.12 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.899 -177.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.843 -179.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.44 21.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.173 2.796 . . . . 0.0 110.346 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.4 78.93 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.317 -0.865 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.51 86.7 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.325 1.05 . . . . 0.0 111.523 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.075 1.484 . . . . 0.0 109.299 178.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.92 83.67 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.787 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.99 86.94 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 118.027 0.376 . . . . 0.0 111.209 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 120.383 -1.448 . . . . 0.0 110.788 176.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.6 79.29 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.511 2.576 . . . . 0.0 109.028 179.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.77 66.46 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.642 -1.617 . . . . 0.0 111.758 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.44 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -175.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.49 -6.4 8.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.125 2.693 . . . . 0.0 113.984 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.828 2.291 . . . . 0.0 118.828 176.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.84 83.28 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.036 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.9 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.15 2.567 . . . . 0.0 110.894 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.711 0 O-C-N 122.862 0.927 . . . . 0.0 113.413 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 119.961 -1.712 . . . . 0.0 112.205 -177.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.45 28.89 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.451 -1.406 . . . . 0.0 111.989 178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.322 2.01 . . . . 0.0 115.638 -177.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.441 1.019 . . . . 0.0 109.933 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.16 1.537 . . . . 0.0 111.882 -177.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.04 19.44 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.264 -2.244 . . . . 0.0 110.785 177.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.34 2.876 . . . . 0.0 117.522 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.4 37.47 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.026 -175.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.71 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.061 1.475 . . . . 0.0 109.972 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.21 29.95 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.696 3.591 . . . . 0.0 120.696 -175.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.25 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.104 1.201 . . . . 0.0 116.104 -177.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 119.986 -1.891 . . . . 0.0 107.946 176.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.157 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.19 79.38 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.342 -1.743 . . . . 0.0 112.149 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.38 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.388 1.089 . . . . 0.0 110.641 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.73 51.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.989 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.33 18.52 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.557 1.98 . . . . 0.0 111.168 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.075 0 CA-C-O 115.142 -2.361 . . . . 0.0 106.137 175.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.084 2.115 . . . . 0.0 109.552 -176.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 0.5 OUTLIER -54.71 143.06 26.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 123.257 1.503 . . . . 0.0 109.28 -176.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.85 19.2 10.68 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.46 34.68 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.7 52.19 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.748 174.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 127.388 2.93 . . . . 0.0 105.862 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.571 -1.204 . . . . 0.0 111.507 176.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.187 0.518 . . . . 0.0 109.866 178.394 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.07 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.292 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.449 -179.415 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.31 31.7 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.972 2.67 . . . . 0.0 108.921 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.443 4.839 . . . . 0.0 108.773 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.16 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.514 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.53 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.386 4.179 . . . . 0.0 108.025 -178.136 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.62 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.994 0.809 . . . . 0.0 112.597 -177.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.05 30.06 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.802 -2.359 . . . . 0.0 112.011 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.099 -1.625 . . . . 0.0 116.122 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.74 55.36 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.637 2.461 . . . . 0.0 106.04 176.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 127.552 3.032 . . . . 0.0 109.003 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.68 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.317 -1.753 . . . . 0.0 108.217 178.12 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.24 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.436 -179.198 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.02 1 O-C-N 129.196 4.06 . . . . 0.0 103.548 173.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.63 15.72 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.668 3.105 . . . . 0.0 111.215 -177.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.345 174.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.48 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 122.562 2.174 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.843 -177.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.858 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 127.198 2.811 . . . . 0.0 110.362 175.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.401 -0.812 . . . . 0.0 110.724 177.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.48 86.87 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 124.307 1.043 . . . . 0.0 111.549 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.47 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.051 1.47 . . . . 0.0 109.329 178.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -38.0 83.86 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.791 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.97 87.0 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 118.021 0.373 . . . . 0.0 111.248 176.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.35 -37.3 87.03 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 120.377 -1.452 . . . . 0.0 110.81 176.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.56 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.54 79.6 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.579 2.609 . . . . 0.0 109.003 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.68 66.67 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.705 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.44 17.94 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.113 2.688 . . . . 0.0 113.962 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.066 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.92 79.57 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.121 2.548 . . . . 0.0 110.898 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 122.878 0.936 . . . . 0.0 113.448 -179.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.32 -15.51 63.59 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 119.983 -1.698 . . . . 0.0 112.216 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.42 28.96 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.504 -1.372 . . . . 0.0 112.047 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.289 1.995 . . . . 0.0 115.609 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 24.0 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.63 130.27 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.483 1.038 . . . . 0.0 109.952 -177.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 O-C-N 125.177 1.548 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.7 18.94 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.07 19.24 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 112.259 -2.246 . . . . 0.0 110.797 177.402 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.52 60.93 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.324 2.869 . . . . 0.0 117.474 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.024 -175.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.74 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.042 1.463 . . . . 0.0 109.924 -177.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.23 29.1 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.26 Favored Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.315 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.003 -1.881 . . . . 0.0 107.996 176.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.22 79.34 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.175 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.23 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.455 1.121 . . . . 0.0 110.747 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.977 179.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.38 18.51 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 121.521 1.964 . . . . 0.0 111.233 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.45 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.166 -2.35 . . . . 0.0 106.135 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 126.106 2.129 . . . . 0.0 109.482 -176.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -54.77 143.02 26.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.221 1.486 . . . . 0.0 109.273 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.21 10.65 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.56 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 118.275 -0.869 . . . . 0.0 108.688 175.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.61 19.15 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.721 175.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.352 2.908 . . . . 0.0 105.883 177.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.863 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.533 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.234 0.54 . . . . 0.0 109.787 178.487 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.25 32.51 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.251 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.45 -179.954 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 127.009 2.693 . . . . 0.0 108.921 178.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 173.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.23 49.46 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.472 4.857 . . . . 0.0 108.773 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.49 41.2 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.396 4.185 . . . . 0.0 108.034 -178.162 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.79 8.35 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.829 -1.082 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.98 49.85 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.036 0.835 . . . . 0.0 112.575 -177.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.97 30.3 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 115.844 -2.342 . . . . 0.0 112.02 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.37 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.171 -1.58 . . . . 0.0 116.077 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.09 34.35 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.76 55.29 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.616 2.447 . . . . 0.0 106.01 176.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.04 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.042 . . . . 0.0 109.055 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.81 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.236 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.04 44.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 115.352 -2.261 . . . . 0.0 108.429 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.38 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.233 4.083 . . . . 0.0 103.539 174.01 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.717 3.136 . . . . 0.0 111.191 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.303 174.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.04 -24.35 39.66 Favored 'Trans proline' 0 C--N 1.319 -0.98 0 C-N-CA 122.513 2.142 . . . . 0.0 111.971 177.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.12 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.901 -177.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.54 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.304 -1.759 . . . . 0.0 109.883 -179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.244 2.84 . . . . 0.0 110.328 175.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.43 79.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.393 -0.817 . . . . 0.0 110.751 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.48 86.95 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 124.324 1.05 . . . . 0.0 111.5 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.48 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 125.006 1.441 . . . . 0.0 109.335 178.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.03 83.82 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.731 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.24 Favored 'General case' 0 C--O 1.279 2.611 0 CA-C-N 118.025 0.375 . . . . 0.0 111.196 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -37.42 87.41 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.415 -1.428 . . . . 0.0 110.802 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.48 77.57 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.26 -48.54 79.48 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 125.494 2.569 . . . . 0.0 108.996 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.57 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.745 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.95 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.34 8.08 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.09 2.677 . . . . 0.0 113.94 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.35 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.03 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.574 0 C-N-CA 123.117 2.545 . . . . 0.0 110.91 178.269 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.09 92.52 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 122.857 0.925 . . . . 0.0 113.386 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.55 63.61 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 119.937 -1.727 . . . . 0.0 112.184 -177.419 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.5 28.8 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.481 -1.387 . . . . 0.0 112.066 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.267 1.984 . . . . 0.0 115.667 -177.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.93 23.93 Favored 'General case' 0 C--O 1.295 3.5 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 172.063 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.55 130.29 50.93 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.411 1.005 . . . . 0.0 109.978 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.168 1.543 . . . . 0.0 111.906 -177.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.89 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.04 19.58 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.223 -2.262 . . . . 0.0 110.752 177.365 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.335 2.874 . . . . 0.0 117.516 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.34 34.59 Favored 'General case' 0 C--O 1.259 1.605 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 174.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.33 37.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.03 -175.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.72 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.078 1.486 . . . . 0.0 109.937 -177.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.29 29.04 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.82 85.35 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.57 165.64 16.9 Favored 'General case' 0 C--O 1.251 1.135 0 O-C-N 120.001 -1.882 . . . . 0.0 108.006 176.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 177.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.15 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.134 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.32 70.6 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.51 1.148 . . . . 0.0 110.77 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.985 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.35 18.44 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 121.536 1.971 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.187 175.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.54 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.073 2.108 . . . . 0.0 109.505 -176.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -54.78 143.06 26.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.226 1.489 . . . . 0.0 109.242 -176.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.13 10.63 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.57 34.44 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.68 19.06 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.657 -2.592 . . . . 0.0 105.759 174.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.239 0 O-C-N 127.431 2.957 . . . . 0.0 105.857 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.786 0 CA-C-O 117.604 -1.188 . . . . 0.0 111.545 176.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.618 -2.734 . . . . 0.0 103.618 175.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.138 0.494 . . . . 0.0 109.865 178.459 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.05 35.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.325 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.493 -178.087 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.26 31.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 126.981 2.675 . . . . 0.0 108.916 178.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.665 1 O-C-N 130.457 4.848 . . . . 0.0 108.794 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.52 175.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.49 41.24 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.428 4.205 . . . . 0.0 108.062 -178.171 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.8 8.35 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.0 49.94 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.106 0.879 . . . . 0.0 112.614 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 115.822 -2.351 . . . . 0.0 111.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.108 -1.62 . . . . 0.0 116.132 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.578 2.424 . . . . 0.0 106.002 176.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.96 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.571 3.045 . . . . 0.0 109.027 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.237 -1.785 . . . . 0.0 108.252 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 115.38 -2.247 . . . . 0.0 108.456 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.5 Favored 'General case' 0 N--CA 1.499 2.022 1 O-C-N 129.2 4.062 . . . . 0.0 103.575 173.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.747 3.154 . . . . 0.0 111.214 -177.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.5 37.65 Favored Pre-proline 0 C--N 1.313 -0.991 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.327 174.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.48 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.565 2.176 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.2 59.16 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.913 -177.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.53 47.49 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.908 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.43 21.18 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 127.165 2.791 . . . . 0.0 110.374 175.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.46 79.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 176.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.95 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.331 1.052 . . . . 0.0 111.534 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.108 1.505 . . . . 0.0 109.362 178.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.94 83.63 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.26 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-N 117.974 0.352 . . . . 0.0 111.243 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.35 87.18 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 120.34 -1.475 . . . . 0.0 110.776 176.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.46 77.48 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.57 79.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.512 2.577 . . . . 0.0 109.035 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.77 66.58 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.765 179.14 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.5 -6.42 8.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.13 2.695 . . . . 0.0 114.009 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.14 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.891 2.316 . . . . 0.0 118.891 176.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.64 124.84 83.49 Favored Pre-proline 0 C--O 1.243 0.715 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.989 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.95 79.76 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.124 2.549 . . . . 0.0 110.967 178.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.29 -32.09 92.73 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.851 0.921 . . . . 0.0 113.44 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.902 -1.749 . . . . 0.0 112.175 -177.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.535 -1.353 . . . . 0.0 112.034 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.292 1.996 . . . . 0.0 115.646 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.22 50.97 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.453 1.024 . . . . 0.0 110.018 -177.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 125.127 1.517 . . . . 0.0 111.879 -177.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 177.563 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.04 19.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 112.249 -2.251 . . . . 0.0 110.739 177.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.55 60.94 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.355 2.883 . . . . 0.0 117.524 -179.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 103.814 -2.662 . . . . 0.0 103.814 174.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.33 37.53 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.033 -175.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 125.02 1.45 . . . . 0.0 109.946 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.14 -42.19 28.73 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.23 Favored Glycine 0 CA--C 1.491 -1.426 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 120.045 -1.856 . . . . 0.0 108.012 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.27 -36.16 79.26 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.338 -1.745 . . . . 0.0 112.139 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.34 70.48 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.455 1.121 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.7 51.35 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.703 -1.142 . . . . 0.0 112.986 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 121.549 1.977 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.024 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.204 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.56 8.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 126.12 2.138 . . . . 0.0 109.488 -176.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.529 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -54.78 143.05 26.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 123.173 1.463 . . . . 0.0 109.273 -176.912 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.58 34.44 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.26 126.7 52.12 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 174.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.45 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.431 2.957 . . . . 0.0 105.874 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.573 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 175.193 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.194 0.521 . . . . 0.0 109.797 178.469 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.98 38.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 113.358 -3.211 . . . . 0.0 105.489 -179.291 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.946 2.654 . . . . 0.0 108.956 178.328 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.0 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.27 49.4 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.463 4.852 . . . . 0.0 108.821 179.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.388 -3.196 . . . . 0.0 105.546 175.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.275 1 O-C-N 129.386 4.179 . . . . 0.0 108.049 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.96 49.6 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.055 0.847 . . . . 0.0 112.592 -177.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.845 -2.342 . . . . 0.0 111.952 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.44 80.36 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.135 -1.603 . . . . 0.0 116.164 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 174.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 126.642 2.464 . . . . 0.0 106.047 176.147 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.638 3.086 . . . . 0.0 109.058 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.76 36.64 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.218 -1.793 . . . . 0.0 108.237 178.142 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.01 44.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.26 44.58 Favored 'General case' 0 N--CA 1.499 1.995 1 O-C-N 129.194 4.058 . . . . 0.0 103.539 173.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.63 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 O-C-N 127.697 3.123 . . . . 0.0 111.205 -177.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.46 37.62 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.171 -2.286 . . . . 0.0 106.312 174.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.35 39.37 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.524 2.149 . . . . 0.0 111.987 177.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.889 -177.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.54 47.44 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.835 -179.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.46 21.24 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.31 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.134 2.771 . . . . 0.0 110.419 175.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.51 79.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.342 -0.849 . . . . 0.0 110.763 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.18 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.306 1.042 . . . . 0.0 111.524 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.093 1.495 . . . . 0.0 109.322 178.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.91 Favored 'General case' 0 C--O 1.255 1.383 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.944 0.338 . . . . 0.0 111.212 176.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.424 -1.422 . . . . 0.0 110.77 176.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.56 79.44 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.512 2.577 . . . . 0.0 108.991 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.72 66.37 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.781 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.679 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.39 8.11 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.101 2.682 . . . . 0.0 113.957 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.37 90.12 Favored Glycine 0 CA--C 1.477 -2.323 0 N-CA-C 118.895 2.318 . . . . 0.0 118.895 176.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 118.843 -1.143 . . . . 0.0 111.014 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.03 136.98 79.89 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.187 2.591 . . . . 0.0 110.907 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.21 92.9 Favored 'Trans proline' 0 C--O 1.261 1.674 0 C-N-CA 120.703 0.935 . . . . 0.0 113.42 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.974 -1.703 . . . . 0.0 112.202 -177.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.495 -1.378 . . . . 0.0 112.021 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 124.297 1.998 . . . . 0.0 115.645 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 172.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 50.98 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 119.467 1.031 . . . . 0.0 109.993 -177.52 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.8 72.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 125.166 1.541 . . . . 0.0 111.902 -177.495 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.66 18.96 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.786 177.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.58 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.371 2.891 . . . . 0.0 117.536 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.43 37.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.786 -1.102 . . . . 0.0 110.006 -175.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.73 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.063 1.477 . . . . 0.0 109.936 -177.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.23 29.91 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.662 3.578 . . . . 0.0 120.662 -175.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.3 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.61 16.98 Favored 'General case' 0 C--O 1.25 1.124 0 O-C-N 120.016 -1.873 . . . . 0.0 108.016 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.24 79.37 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.163 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.57 70.75 Favored 'General case' 0 C--O 1.268 2.046 0 C-N-CA 117.339 -1.744 . . . . 0.0 112.116 -179.479 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.27 70.68 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.505 1.145 . . . . 0.0 110.713 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.967 179.315 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.35 18.46 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.545 1.975 . . . . 0.0 111.173 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.45 30.39 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 CA-C-O 115.099 -2.381 . . . . 0.0 106.2 175.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.077 2.111 . . . . 0.0 109.51 -176.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 143.02 26.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 123.198 1.475 . . . . 0.0 109.268 -176.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.51 34.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.69 52.17 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.67 19.07 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.697 -2.573 . . . . 0.0 105.704 174.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.78 46.44 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.442 2.964 . . . . 0.0 105.871 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.809 0 CA-C-O 117.586 -1.197 . . . . 0.0 111.531 176.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.607 -2.738 . . . . 0.0 103.607 175.103 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 178.461 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.35 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.498 -179.815 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.954 2.659 . . . . 0.0 108.951 178.273 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.23 49.44 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.46 4.85 . . . . 0.0 108.81 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.14 114.25 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.431 -3.176 . . . . 0.0 105.501 175.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.45 41.25 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.406 4.191 . . . . 0.0 108.042 -178.117 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.8 8.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.53 -6.91 49.47 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 124.061 0.851 . . . . 0.0 112.601 -177.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.803 -2.359 . . . . 0.0 112.003 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.583 0 O-C-N 120.15 -1.594 . . . . 0.0 116.116 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.09 34.4 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.74 55.32 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.641 2.463 . . . . 0.0 106.028 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 127.62 3.075 . . . . 0.0 109.06 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.81 36.57 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.268 178.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.0 44.31 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.359 -2.257 . . . . 0.0 108.432 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.223 4.077 . . . . 0.0 103.565 174.003 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.04 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 O-C-N 127.691 3.119 . . . . 0.0 111.181 -177.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.55 37.86 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.133 -2.303 . . . . 0.0 106.306 174.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.533 2.155 . . . . 0.0 111.98 177.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.15 59.12 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.922 -177.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.87 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.37 21.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.17 2.794 . . . . 0.0 110.311 175.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.375 -0.828 . . . . 0.0 110.751 176.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.41 87.05 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.301 1.04 . . . . 0.0 111.531 -179.641 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 178.498 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.87 -37.88 83.65 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.01 86.96 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 117.987 0.358 . . . . 0.0 111.225 176.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.422 -1.424 . . . . 0.0 110.816 176.019 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.52 77.61 Favored 'Isoleucine or valine' 0 C--O 1.253 1.252 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.62 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.458 2.552 . . . . 0.0 108.973 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.74 66.49 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.694 179.189 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.47 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 -175.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 123.092 2.678 . . . . 0.0 113.947 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.34 90.13 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.838 2.295 . . . . 0.0 118.838 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.36 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.763 -1.175 . . . . 0.0 111.01 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.93 79.62 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.106 2.538 . . . . 0.0 110.936 178.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.662 0 O-C-N 122.872 0.933 . . . . 0.0 113.421 -179.313 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.948 -1.72 . . . . 0.0 112.21 -177.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.44 28.86 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.527 -1.358 . . . . 0.0 112.048 178.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.88 129.77 34.76 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.308 2.004 . . . . 0.0 115.615 -177.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.98 24.0 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 172.097 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.26 51.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.443 1.02 . . . . 0.0 110.009 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.188 1.555 . . . . 0.0 111.891 -177.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.92 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.03 19.38 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.262 -2.244 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.5 61.05 Favored Glycine 0 N--CA 1.432 -1.587 0 C-N-CA 128.34 2.876 . . . . 0.0 117.503 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.688 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.086 -175.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.109 1.506 . . . . 0.0 109.976 -177.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.21 29.88 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.73 3.604 . . . . 0.0 120.73 -175.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.32 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 -177.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.63 16.96 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 119.962 -1.905 . . . . 0.0 107.973 176.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.64 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.119 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.19 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.82 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.356 -1.738 . . . . 0.0 112.164 -179.441 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 122.45 1.119 . . . . 0.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.47 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.976 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.39 18.36 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 121.543 1.974 . . . . 0.0 111.179 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.37 30.23 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.169 -2.348 . . . . 0.0 106.194 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.086 2.116 . . . . 0.0 109.533 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.421 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 38.9 ttpt -54.79 143.02 26.84 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.215 1.483 . . . . 0.0 109.262 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.55 34.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.722 174.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.76 46.45 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 127.405 2.94 . . . . 0.0 105.871 177.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.82 30.84 Favored 'General case' 0 C--O 1.283 2.829 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.51 176.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.186 0.517 . . . . 0.0 109.846 178.389 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.7 36.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.237 0 CA-C-O 113.381 -3.2 . . . . 0.0 105.501 -179.791 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 126.987 2.679 . . . . 0.0 108.964 178.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.21 162.98 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 CA-C-O 115.941 -1.98 . . . . 0.0 105.662 173.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.18 49.47 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.486 4.866 . . . . 0.0 108.816 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.484 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.366 4.166 . . . . 0.0 108.077 -178.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.54 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.049 0.843 . . . . 0.0 112.608 -177.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.06 30.03 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.779 -2.368 . . . . 0.0 111.967 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.619 0 O-C-N 120.144 -1.597 . . . . 0.0 116.121 179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.35 138.11 34.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.76 55.31 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.617 2.448 . . . . 0.0 106.034 176.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.97 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.609 3.068 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.249 -1.78 . . . . 0.0 108.254 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 115.315 -2.279 . . . . 0.0 108.464 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.26 4.1 . . . . 0.0 103.601 173.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.68 15.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.746 3.154 . . . . 0.0 111.188 -177.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.314 174.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.45 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.611 2.207 . . . . 0.0 111.978 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.906 -177.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.59 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.876 -179.063 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.43 21.27 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.19 2.806 . . . . 0.0 110.356 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.41 79.32 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.347 -0.845 . . . . 0.0 110.717 177.031 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.53 86.94 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 124.384 1.074 . . . . 0.0 111.48 -179.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 125.058 1.474 . . . . 0.0 109.266 178.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.71 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.802 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.23 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 117.94 0.336 . . . . 0.0 111.237 176.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.434 -1.416 . . . . 0.0 110.799 176.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.47 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.186 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.55 79.52 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.531 2.586 . . . . 0.0 108.985 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.73 66.61 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 113.644 -1.616 . . . . 0.0 111.732 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.689 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.31 8.11 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.136 2.698 . . . . 0.0 113.963 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.32 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.784 -1.167 . . . . 0.0 110.985 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.258 1.525 0 C-N-CA 123.141 2.56 . . . . 0.0 110.928 178.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.12 92.7 Favored 'Trans proline' 0 C--O 1.261 1.673 0 C-N-CA 120.678 0.919 . . . . 0.0 113.428 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 119.999 -1.688 . . . . 0.0 112.183 -177.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.78 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.463 -1.398 . . . . 0.0 112.029 178.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.318 2.008 . . . . 0.0 115.635 -177.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.98 24.01 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.907 -2.256 . . . . 0.0 104.907 172.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.28 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.461 1.028 . . . . 0.0 109.993 -177.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.154 1.534 . . . . 0.0 111.926 -177.526 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.68 18.93 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.02 19.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.736 177.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.55 61.06 Favored Glycine 0 N--CA 1.432 -1.617 0 C-N-CA 128.387 2.899 . . . . 0.0 117.526 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.67 46.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 174.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.048 -175.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.0 36.77 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.053 1.471 . . . . 0.0 109.926 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.25 29.32 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 120.703 3.594 . . . . 0.0 120.703 -175.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.367 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 120.038 -1.86 . . . . 0.0 107.985 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.53 11.69 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.23 79.25 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.65 70.82 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.314 -1.755 . . . . 0.0 112.16 -179.449 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.46 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.415 1.102 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.7 51.38 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.953 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.34 18.43 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 121.558 1.981 . . . . 0.0 111.196 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.056 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.21 175.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.099 2.124 . . . . 0.0 109.522 -176.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -54.76 143.02 26.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.235 1.493 . . . . 0.0 109.24 -176.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.18 10.61 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 174.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.71 52.15 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.052 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.74 46.49 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.437 2.961 . . . . 0.0 105.89 177.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.89 Favored 'General case' 0 C--O 1.282 2.807 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.487 176.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.096 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.194 0.521 . . . . 0.0 109.827 178.453 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.38 36.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.26 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.494 179.693 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.99 2.681 . . . . 0.0 108.946 178.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 CA-C-O 115.947 -1.978 . . . . 0.0 105.671 173.371 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.505 4.878 . . . . 0.0 108.776 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.499 175.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.406 4.192 . . . . 0.0 108.042 -178.157 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.79 8.36 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.795 -1.097 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.94 49.62 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.082 0.864 . . . . 0.0 112.609 -178.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 115.839 -2.344 . . . . 0.0 111.986 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.51 80.29 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.092 -1.63 . . . . 0.0 116.118 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.07 34.46 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.79 55.33 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 126.626 2.454 . . . . 0.0 106.019 176.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.642 3.089 . . . . 0.0 109.007 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.63 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 117.271 -1.772 . . . . 0.0 108.192 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.463 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.188 4.055 . . . . 0.0 103.577 174.014 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.66 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.661 3.101 . . . . 0.0 111.231 -177.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.71 Favored Pre-proline 0 C--N 1.314 -0.977 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.317 174.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.5 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.539 2.159 . . . . 0.0 111.934 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.92 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.51 47.44 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.864 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.32 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 127.258 2.849 . . . . 0.0 110.362 175.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.49 78.95 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.327 -0.858 . . . . 0.0 110.663 177.021 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.47 87.23 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.3 1.04 . . . . 0.0 111.515 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.096 1.498 . . . . 0.0 109.32 178.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.01 83.79 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.35 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 117.985 0.357 . . . . 0.0 111.226 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.33 87.09 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 120.363 -1.461 . . . . 0.0 110.797 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.05 -39.43 77.27 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.15 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.531 2.586 . . . . 0.0 109.026 179.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.44 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.724 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.34 17.94 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -175.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.081 2.673 . . . . 0.0 113.956 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.36 90.15 Favored Glycine 0 CA--C 1.478 -2.245 0 N-CA-C 118.864 2.305 . . . . 0.0 118.864 176.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.9 83.37 Favored Pre-proline 0 C--O 1.243 0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.045 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.572 0 C-N-CA 123.151 2.568 . . . . 0.0 110.913 178.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.693 0 C-N-CA 120.675 0.917 . . . . 0.0 113.463 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.789 0 O-C-N 120.01 -1.681 . . . . 0.0 112.224 -177.466 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.46 28.83 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.478 -1.389 . . . . 0.0 112.011 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.304 2.002 . . . . 0.0 115.64 -177.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.295 3.496 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 172.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.26 50.98 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.464 1.029 . . . . 0.0 109.988 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.189 1.556 . . . . 0.0 111.904 -177.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.53 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.738 177.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.551 0 C-N-CA 128.328 2.87 . . . . 0.0 117.48 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.41 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.049 -175.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 125.038 1.461 . . . . 0.0 109.982 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.87 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.88 85.2 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.328 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.62 17.01 Favored 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.031 -1.864 . . . . 0.0 107.98 176.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.55 11.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.19 79.15 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.187 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.57 70.72 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 117.337 -1.745 . . . . 0.0 112.166 -179.491 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.36 70.51 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.66 51.42 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.01 179.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.35 18.29 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 121.541 1.973 . . . . 0.0 111.216 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.148 -2.358 . . . . 0.0 106.182 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.51 8.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.081 2.113 . . . . 0.0 109.515 -176.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -54.7 143.02 26.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.232 1.491 . . . . 0.0 109.284 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 179.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.65 52.08 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 175.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.6 19.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.717 -2.564 . . . . 0.0 105.689 174.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.4 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 127.42 2.95 . . . . 0.0 105.864 177.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.472 176.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.592 -2.744 . . . . 0.0 103.592 175.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.158 0.504 . . . . 0.0 109.832 178.441 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.03 32.83 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.245 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.462 -179.656 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.22 31.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 126.943 2.652 . . . . 0.0 108.901 178.322 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.513 2.705 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.511 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.505 2.281 1 O-C-N 129.413 4.196 . . . . 0.0 108.008 -178.108 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -7.0 49.89 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.05 0.844 . . . . 0.0 112.602 -177.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.23 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 115.814 -2.354 . . . . 0.0 112.023 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.4 80.4 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.122 -1.611 . . . . 0.0 116.129 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.21 138.09 34.33 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.66 2.475 . . . . 0.0 105.993 176.155 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 127.626 3.079 . . . . 0.0 109.028 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.79 36.62 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.256 178.087 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.98 44.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.158 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.29 44.66 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 129.188 4.055 . . . . 0.0 103.634 173.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.58 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.209 -177.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 112.11 -2.313 . . . . 0.0 106.317 174.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.42 39.59 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 122.59 2.193 . . . . 0.0 111.891 177.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.09 59.11 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.917 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.48 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.378 -1.729 . . . . 0.0 109.826 -179.021 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.42 21.21 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.186 2.804 . . . . 0.0 110.369 175.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.741 176.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.0 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.269 1.028 . . . . 0.0 111.504 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.44 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.043 1.464 . . . . 0.0 109.303 178.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.71 -38.03 83.7 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.21 Favored 'General case' 0 C--O 1.278 2.589 0 CA-C-N 118.032 0.378 . . . . 0.0 111.224 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.09 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.432 -1.418 . . . . 0.0 110.785 176.061 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.51 77.5 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.56 79.48 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.559 2.599 . . . . 0.0 108.991 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.73 66.68 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.639 -1.618 . . . . 0.0 111.714 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.48 17.94 Favored 'General case' 0 C--O 1.279 2.648 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -175.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.39 8.12 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 123.1 2.682 . . . . 0.0 113.976 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.252 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.741 -1.183 . . . . 0.0 111.014 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.92 79.55 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.138 2.559 . . . . 0.0 110.908 178.204 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 120.684 0.923 . . . . 0.0 113.416 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.1 -15.65 63.68 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.954 -1.716 . . . . 0.0 112.179 -177.396 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.94 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.532 -1.355 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.289 1.995 . . . . 0.0 115.601 -177.656 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.521 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 172.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.3 50.97 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.461 1.028 . . . . 0.0 110.001 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.176 1.547 . . . . 0.0 111.897 -177.483 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 177.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.01 19.22 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.764 177.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.433 -1.566 0 C-N-CA 128.281 2.848 . . . . 0.0 117.557 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.61 46.4 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.28 34.61 Favored 'General case' 0 C--O 1.258 1.549 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.4 37.44 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.993 -175.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.98 36.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 125.132 1.52 . . . . 0.0 109.954 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.43 Favored 'General case' 0 C--O 1.265 1.919 0 N-CA-C 120.732 3.605 . . . . 0.0 120.732 -175.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.81 85.32 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.56 17.0 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 119.981 -1.894 . . . . 0.0 107.95 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.26 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.125 -179.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.35 70.61 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.465 1.126 . . . . 0.0 110.741 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.64 51.52 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 117.69 -1.148 . . . . 0.0 113.0 179.243 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.31 18.44 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 121.582 1.992 . . . . 0.0 111.212 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.38 Favored 'Isoleucine or valine' 0 C--O 1.269 2.088 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.203 175.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.08 2.112 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 52.1 tttm -54.76 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.203 1.478 . . . . 0.0 109.277 -176.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.11 10.65 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.05 159.5 34.61 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.688 -2.577 . . . . 0.0 105.695 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.77 46.38 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.488 2.992 . . . . 0.0 105.858 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.82 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.134 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.221 0.534 . . . . 0.0 109.821 178.451 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.1 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.16 36.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.272 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.509 -179.862 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.23 31.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.968 2.668 . . . . 0.0 108.923 178.341 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.07 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 173.41 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.434 4.834 . . . . 0.0 108.772 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.436 -3.173 . . . . 0.0 105.499 175.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.47 41.21 Favored 'General case' 0 N--CA 1.505 2.283 1 O-C-N 129.403 4.19 . . . . 0.0 108.075 -178.18 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.88 49.16 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.09 0.869 . . . . 0.0 112.589 -177.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.46 15.09 29.97 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 115.816 -2.354 . . . . 0.0 111.996 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.56 80.32 Favored Glycine 0 C--N 1.298 -1.573 0 O-C-N 120.175 -1.578 . . . . 0.0 116.076 179.742 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.03 34.49 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 174.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.75 55.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 126.6 2.438 . . . . 0.0 106.032 176.153 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.95 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.616 3.073 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.64 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.215 178.116 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 115.383 -2.246 . . . . 0.0 108.457 -179.213 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.44 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.188 4.055 . . . . 0.0 103.563 174.012 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.163 0 O-C-N 127.678 3.111 . . . . 0.0 111.189 -177.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.51 37.68 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.307 174.691 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.948 0 C-N-CA 122.563 2.175 . . . . 0.0 111.957 177.669 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.14 59.14 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.91 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.892 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.38 21.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.33 77.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.254 2.846 . . . . 0.0 110.409 175.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.41 78.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.364 -0.835 . . . . 0.0 110.727 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.84 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 111.524 -179.641 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.24 -46.47 88.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 125.065 1.478 . . . . 0.0 109.293 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.82 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.775 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.19 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 117.998 0.363 . . . . 0.0 111.225 176.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.46 -1.4 . . . . 0.0 110.813 176.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.51 79.59 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.519 2.581 . . . . 0.0 109.003 179.451 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.746 179.165 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.38 17.98 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.092 2.678 . . . . 0.0 113.95 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.3 90.16 Favored Glycine 0 CA--C 1.477 -2.327 0 N-CA-C 118.915 2.326 . . . . 0.0 118.915 176.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.006 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.168 2.579 . . . . 0.0 110.975 178.14 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.69 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.887 0.941 . . . . 0.0 113.398 -179.323 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.895 -1.753 . . . . 0.0 112.245 -177.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 120.48 -1.387 . . . . 0.0 112.06 178.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.75 34.78 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 124.291 1.996 . . . . 0.0 115.632 -177.643 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.533 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 172.109 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.27 50.98 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 119.476 1.034 . . . . 0.0 109.974 -177.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 125.144 1.527 . . . . 0.0 111.906 -177.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.63 18.89 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 177.481 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.24 -2.255 . . . . 0.0 110.769 177.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.04 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 128.386 2.898 . . . . 0.0 117.518 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.66 46.34 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.55 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 117.757 -1.116 . . . . 0.0 110.042 -175.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.99 36.77 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.051 1.469 . . . . 0.0 109.914 -177.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.27 29.24 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.733 3.605 . . . . 0.0 120.733 -175.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.9 85.22 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.287 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 119.978 -1.895 . . . . 0.0 107.98 176.558 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.121 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.23 79.32 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.183 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.178 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.34 70.66 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.454 1.121 . . . . 0.0 110.695 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.64 51.45 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.99 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.39 18.32 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 121.577 1.989 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.44 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.163 175.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.153 2.158 . . . . 0.0 109.489 -176.818 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -54.74 143.04 26.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.257 1.503 . . . . 0.0 109.213 -176.909 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.484 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.72 52.24 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.63 19.13 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 114.719 -2.563 . . . . 0.0 105.736 174.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.81 46.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.41 2.944 . . . . 0.0 105.858 177.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.618 -1.182 . . . . 0.0 111.521 176.56 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.566 -2.753 . . . . 0.0 103.566 175.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.237 0.541 . . . . 0.0 109.815 178.466 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.46 37.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.297 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.521 179.88 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.19 31.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.979 2.674 . . . . 0.0 108.956 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.01 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.353 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.43 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.492 4.87 . . . . 0.0 108.818 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.16 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.502 175.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.48 41.15 Favored 'General case' 0 N--CA 1.505 2.311 1 O-C-N 129.447 4.217 . . . . 0.0 108.016 -178.177 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.67 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.047 0.842 . . . . 0.0 112.624 -177.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.04 30.1 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 115.763 -2.375 . . . . 0.0 111.991 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.165 -1.584 . . . . 0.0 116.142 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.624 2.452 . . . . 0.0 106.013 176.154 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.605 3.066 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.75 36.65 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.199 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.03 44.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.373 -2.251 . . . . 0.0 108.45 -179.234 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.984 1 O-C-N 129.189 4.055 . . . . 0.0 103.564 174.025 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.62 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.677 3.111 . . . . 0.0 111.227 -177.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.6 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.351 174.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.42 39.23 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.576 2.184 . . . . 0.0 111.951 177.72 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.899 -177.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 117.344 -1.742 . . . . 0.0 109.914 -179.078 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.159 2.787 . . . . 0.0 110.363 175.759 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.38 79.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.316 -0.865 . . . . 0.0 110.704 177.026 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.4 87.0 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.251 1.02 . . . . 0.0 111.56 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.45 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.107 1.504 . . . . 0.0 109.323 178.5 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.92 83.62 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.08 87.29 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.373 -1.454 . . . . 0.0 110.799 176.02 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 125.556 2.598 . . . . 0.0 109.003 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.769 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.38 17.97 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.102 2.683 . . . . 0.0 113.984 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.44 90.07 Favored Glycine 0 CA--C 1.477 -2.33 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.524 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.028 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.91 79.33 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.134 2.556 . . . . 0.0 110.922 178.228 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.19 92.8 Favored 'Trans proline' 0 C--O 1.262 1.715 0 C-N-CA 120.704 0.936 . . . . 0.0 113.447 -179.366 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.61 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.939 -1.726 . . . . 0.0 112.184 -177.444 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.515 -1.366 . . . . 0.0 112.035 178.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.333 2.016 . . . . 0.0 115.602 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.529 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 172.065 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.23 51.0 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.477 1.035 . . . . 0.0 110.017 -177.559 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 O-C-N 125.191 1.557 . . . . 0.0 111.932 -177.509 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.431 -2.062 . . . . 0.0 105.431 177.528 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.97 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.318 -2.219 . . . . 0.0 110.74 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.52 61.02 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 128.376 2.893 . . . . 0.0 117.522 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -114.99 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.525 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.056 -175.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.115 1.509 . . . . 0.0 109.963 -177.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.2 29.33 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 120.683 3.586 . . . . 0.0 120.683 -175.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -8.79 85.29 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.329 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.044 -1.857 . . . . 0.0 108.017 176.483 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.112 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.25 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.124 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.03 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.178 -179.482 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.34 70.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.461 1.124 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.41 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.95 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 121.548 1.976 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.794 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.089 2.118 . . . . 0.0 109.472 -176.816 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.483 ' HE3' ' H ' ' B' ' 63' ' ' LYS . 49.2 tttm -54.74 143.03 26.56 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.247 1.499 . . . . 0.0 109.216 -176.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.14 126.72 52.28 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 175.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.721 175.048 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.76 46.46 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 127.452 2.97 . . . . 0.0 105.87 177.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.801 0 CA-C-O 117.614 -1.184 . . . . 0.0 111.545 176.566 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 109.851 178.431 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.293 0 CA-C-O 113.347 -3.216 . . . . 0.0 105.461 -178.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.976 2.672 . . . . 0.0 108.921 178.307 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 173.395 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.14 49.54 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.436 4.835 . . . . 0.0 108.814 179.567 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.19 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.49 175.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.51 41.19 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.449 4.218 . . . . 0.0 108.018 -178.16 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.96 49.72 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 124.068 0.855 . . . . 0.0 112.649 -177.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.96 30.34 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.839 -2.344 . . . . 0.0 112.023 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.49 80.29 Favored Glycine 0 C--N 1.297 -1.587 0 O-C-N 120.123 -1.611 . . . . 0.0 116.112 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.05 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 174.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.633 2.458 . . . . 0.0 105.998 176.165 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.95 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 127.589 3.056 . . . . 0.0 109.026 179.67 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.61 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.2 -1.8 . . . . 0.0 108.205 178.132 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 115.368 -2.253 . . . . 0.0 108.462 -179.225 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.42 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.156 4.035 . . . . 0.0 103.569 174.007 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.674 3.109 . . . . 0.0 111.202 -177.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.5 37.73 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.15 -2.296 . . . . 0.0 106.304 174.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.43 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 122.535 2.156 . . . . 0.0 111.978 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.911 -177.518 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.861 -179.063 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 175.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 127.222 2.826 . . . . 0.0 110.372 175.755 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.32 79.12 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.384 -0.823 . . . . 0.0 110.717 176.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.57 -44.44 86.7 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 124.32 1.048 . . . . 0.0 111.499 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.5 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.083 1.49 . . . . 0.0 109.331 178.523 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.95 83.6 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.79 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.622 0 CA-C-N 118.002 0.364 . . . . 0.0 111.223 176.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.31 87.03 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.36 -1.462 . . . . 0.0 110.795 176.042 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.54 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.59 79.4 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.02 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.775 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.41 17.95 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -175.663 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.54 -6.41 8.11 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.942 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.38 90.13 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.514 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.82 83.34 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.8 -1.16 . . . . 0.0 111.011 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.87 79.21 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.163 2.575 . . . . 0.0 110.865 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.15 92.64 Favored 'Trans proline' 0 C--O 1.261 1.651 0 C-N-CA 120.706 0.937 . . . . 0.0 113.411 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.62 63.65 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.948 -1.72 . . . . 0.0 112.239 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.48 28.95 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.504 -1.373 . . . . 0.0 112.031 178.704 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.261 1.982 . . . . 0.0 115.67 -177.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.91 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.149 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.436 1.016 . . . . 0.0 109.936 -177.509 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.8 72.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.158 1.536 . . . . 0.0 111.841 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.7 19.02 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.296 -2.229 . . . . 0.0 110.764 177.348 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.432 -1.613 0 C-N-CA 128.39 2.9 . . . . 0.0 117.523 -179.469 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.581 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.35 37.45 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.994 -175.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.76 139.98 36.66 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.08 1.487 . . . . 0.0 109.966 -177.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.64 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 -175.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.23 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.341 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 120.0 -1.882 . . . . 0.0 107.979 176.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.58 11.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.125 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.22 79.33 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.211 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.183 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.28 70.62 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.417 1.103 . . . . 0.0 110.692 179.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.64 51.5 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 117.684 -1.15 . . . . 0.0 112.96 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.31 18.39 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 121.55 1.977 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.47 30.39 Favored 'Isoleucine or valine' 0 C--O 1.267 2.019 0 CA-C-O 115.197 -2.335 . . . . 0.0 106.162 175.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 126.061 2.101 . . . . 0.0 109.515 -176.809 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 18.4 ptpt -54.74 143.03 26.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.158 1.456 . . . . 0.0 109.276 -176.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 179.493 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.811 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.64 52.04 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.67 19.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 114.734 -2.555 . . . . 0.0 105.708 175.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.79 46.43 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 127.411 2.944 . . . . 0.0 105.868 177.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.805 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.495 176.567 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.182 0.515 . . . . 0.0 109.853 178.423 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.62 37.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.468 -179.666 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.904 2.627 . . . . 0.0 108.974 178.241 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 162.97 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 173.416 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.472 4.858 . . . . 0.0 108.78 179.585 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.444 -3.169 . . . . 0.0 105.478 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.48 41.26 Favored 'General case' 0 N--CA 1.505 2.299 1 O-C-N 129.372 4.17 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.78 8.37 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.01 49.94 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 124.011 0.819 . . . . 0.0 112.569 -177.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.804 -2.358 . . . . 0.0 111.975 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.46 80.34 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.124 -1.61 . . . . 0.0 116.099 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.07 34.43 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.575 2.422 . . . . 0.0 106.081 176.147 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 127.547 3.029 . . . . 0.0 109.041 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.79 36.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.245 -1.782 . . . . 0.0 108.217 178.142 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.432 -179.183 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.24 44.53 Favored 'General case' 0 N--CA 1.498 1.967 1 O-C-N 129.161 4.038 . . . . 0.0 103.577 174.007 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 O-C-N 127.752 3.157 . . . . 0.0 111.226 -177.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.72 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.333 174.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.43 39.36 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.604 2.203 . . . . 0.0 111.902 177.73 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.93 -177.51 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.55 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.9 -179.093 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.43 21.2 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.25 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 127.213 2.82 . . . . 0.0 110.392 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.698 177.011 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 124.302 1.041 . . . . 0.0 111.49 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 125.055 1.472 . . . . 0.0 109.306 178.523 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.09 87.42 Favored 'General case' 0 C--O 1.28 2.664 0 CA-C-N 117.978 0.353 . . . . 0.0 111.252 176.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.39 87.3 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.366 -1.459 . . . . 0.0 110.781 176.013 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.54 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.35 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 125.531 2.586 . . . . 0.0 109.034 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.53 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.771 179.106 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -175.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.31 8.1 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 123.145 2.702 . . . . 0.0 113.976 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.44 90.1 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.561 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.8 83.36 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 123.14 2.56 . . . . 0.0 110.908 178.245 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.15 92.83 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.857 0.925 . . . . 0.0 113.449 -179.373 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 120.01 -1.681 . . . . 0.0 112.185 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.45 28.9 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.518 -1.364 . . . . 0.0 112.012 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.311 2.005 . . . . 0.0 115.579 -177.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.295 3.476 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.07 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.426 1.012 . . . . 0.0 109.999 -177.572 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.83 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.194 1.559 . . . . 0.0 111.873 -177.456 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.7 19.0 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.543 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.96 19.51 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.266 -2.243 . . . . 0.0 110.778 177.396 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.64 61.08 Favored Glycine 0 N--CA 1.433 -1.554 0 C-N-CA 128.36 2.886 . . . . 0.0 117.51 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.653 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.39 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.044 -175.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.0 36.78 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.093 1.496 . . . . 0.0 109.943 -177.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.16 29.92 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.721 3.601 . . . . 0.0 120.721 -175.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.9 85.2 Favored Glycine 0 CA--C 1.492 -1.376 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.301 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.6 17.03 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.017 -1.872 . . . . 0.0 107.976 176.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.61 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.166 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.21 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.212 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.049 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.158 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.3 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.437 1.113 . . . . 0.0 110.725 179.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.991 179.282 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.39 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 121.549 1.977 . . . . 0.0 111.189 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.32 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.119 -2.372 . . . . 0.0 106.174 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.137 2.148 . . . . 0.0 109.53 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.509 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.77 143.01 26.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 123.234 1.492 . . . . 0.0 109.217 -176.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.418 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.48 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.16 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.63 19.11 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 114.693 -2.575 . . . . 0.0 105.758 174.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.8 46.36 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.37 2.919 . . . . 0.0 105.886 177.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.816 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.535 176.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.181 0.515 . . . . 0.0 109.822 178.468 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.14 35.56 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.236 0 CA-C-O 113.421 -3.18 . . . . 0.0 105.522 -179.731 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.21 31.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 127.002 2.689 . . . . 0.0 108.911 178.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.439 4.837 . . . . 0.0 108.772 179.615 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.449 175.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.5 41.22 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.418 4.198 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.93 49.45 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.082 0.864 . . . . 0.0 112.606 -177.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.79 -2.364 . . . . 0.0 111.96 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.134 -1.604 . . . . 0.0 116.111 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.08 34.39 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.82 55.34 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 126.591 2.432 . . . . 0.0 106.052 176.154 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.567 3.042 . . . . 0.0 109.048 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.273 -1.771 . . . . 0.0 108.24 178.136 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.22 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.482 -179.247 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.215 4.072 . . . . 0.0 103.564 174.001 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.198 0 O-C-N 127.658 3.099 . . . . 0.0 111.243 -177.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.53 37.67 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.354 174.696 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.548 2.165 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.875 -177.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.822 -178.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.46 21.2 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 175.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.27 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.207 2.817 . . . . 0.0 110.383 175.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.39 79.13 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.379 -0.826 . . . . 0.0 110.74 176.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.42 87.09 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.338 1.055 . . . . 0.0 111.547 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 125.017 1.448 . . . . 0.0 109.332 178.525 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.89 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.772 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.28 Favored 'General case' 0 C--O 1.278 2.593 0 CA-C-N 118.029 0.377 . . . . 0.0 111.227 176.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.28 86.93 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 120.403 -1.436 . . . . 0.0 110.818 176.039 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.55 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.67 79.06 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.537 2.589 . . . . 0.0 109.005 179.487 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.73 66.33 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.727 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.42 17.92 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 123.139 2.699 . . . . 0.0 113.965 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.021 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.567 0 C-N-CA 123.186 2.591 . . . . 0.0 110.933 178.242 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.76 Favored 'Trans proline' 0 C--O 1.263 1.73 0 C-N-CA 120.67 0.914 . . . . 0.0 113.432 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.969 -1.707 . . . . 0.0 112.204 -177.455 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.43 28.87 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.448 -1.407 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 124.32 2.01 . . . . 0.0 115.681 -177.691 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.91 23.88 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.151 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.404 1.002 . . . . 0.0 109.987 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 O-C-N 125.174 1.546 . . . . 0.0 111.872 -177.46 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.74 19.0 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.97 19.46 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.265 -2.243 . . . . 0.0 110.782 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.406 2.908 . . . . 0.0 117.515 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.72 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.594 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.512 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.704 -1.141 . . . . 0.0 110.049 -175.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 140.02 36.66 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 125.113 1.508 . . . . 0.0 109.964 -177.751 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.22 30.17 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.965 -1.903 . . . . 0.0 108.035 176.484 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.178 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.131 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.186 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.467 1.127 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.942 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.31 18.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.554 1.979 . . . . 0.0 111.182 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.14 -2.362 . . . . 0.0 106.175 175.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.091 2.12 . . . . 0.0 109.476 -176.784 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.48 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 20.9 pttp -54.77 143.0 26.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 123.222 1.487 . . . . 0.0 109.237 -176.907 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.19 10.64 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.455 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.54 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.72 52.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.005 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.65 19.11 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.735 174.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.409 2.943 . . . . 0.0 105.866 177.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.634 -1.174 . . . . 0.0 111.505 176.54 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.078 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.159 0.504 . . . . 0.0 109.829 178.451 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 136.04 37.03 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.297 0 CA-C-O 113.425 -3.178 . . . . 0.0 105.513 177.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.946 2.654 . . . . 0.0 108.932 178.348 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.427 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.635 1 O-C-N 130.456 4.848 . . . . 0.0 108.767 179.581 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.507 175.836 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.47 41.18 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.44 4.212 . . . . 0.0 108.09 -178.166 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.856 -1.069 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.99 49.84 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.016 0.822 . . . . 0.0 112.567 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.96 30.33 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.781 -2.368 . . . . 0.0 112.016 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.611 0 O-C-N 120.126 -1.609 . . . . 0.0 116.163 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.41 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 175.054 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.74 55.31 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 126.636 2.46 . . . . 0.0 106.019 176.121 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.043 . . . . 0.0 109.062 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.75 36.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.261 -1.776 . . . . 0.0 108.226 178.147 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.347 -2.263 . . . . 0.0 108.476 -179.213 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.192 4.057 . . . . 0.0 103.622 173.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.717 3.135 . . . . 0.0 111.231 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.44 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.581 2.187 . . . . 0.0 111.919 177.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.15 59.13 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.876 -177.497 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.55 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.323 -1.751 . . . . 0.0 109.903 -179.063 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 175.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.191 2.807 . . . . 0.0 110.364 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.43 78.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 176.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.51 86.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.323 1.049 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 125.049 1.468 . . . . 0.0 109.288 178.509 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.96 83.92 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.98 87.07 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-N 118.015 0.37 . . . . 0.0 111.269 176.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.35 87.2 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 120.346 -1.471 . . . . 0.0 110.782 175.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.48 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.63 79.21 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 125.541 2.591 . . . . 0.0 109.007 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.754 179.127 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.668 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -175.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.126 2.694 . . . . 0.0 113.971 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.46 90.06 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.877 2.311 . . . . 0.0 118.877 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.244 0.784 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.038 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.91 79.56 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.173 2.582 . . . . 0.0 110.923 178.212 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.675 0 O-C-N 122.878 0.936 . . . . 0.0 113.426 -179.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.213 -177.429 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.546 -1.346 . . . . 0.0 112.013 178.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 124.305 2.002 . . . . 0.0 115.609 -177.649 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.97 24.01 Favored 'General case' 0 C--O 1.295 3.482 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.484 1.038 . . . . 0.0 109.978 -177.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.18 1.55 . . . . 0.0 111.892 -177.489 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.93 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.31 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.761 177.403 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.384 2.897 . . . . 0.0 117.519 -179.482 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.59 46.44 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.771 -2.678 . . . . 0.0 103.771 174.574 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.034 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.03 36.65 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.005 1.44 . . . . 0.0 109.966 -177.722 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.23 30.36 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.631 3.567 . . . . 0.0 120.631 -175.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.27 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 -177.311 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 119.985 -1.891 . . . . 0.0 108.025 176.49 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.16 79.22 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.166 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.64 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.161 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.53 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.455 1.121 . . . . 0.0 110.686 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.71 51.34 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.686 -1.15 . . . . 0.0 112.996 179.258 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.4 18.53 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.563 1.983 . . . . 0.0 111.192 179.808 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.34 30.18 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-O 115.118 -2.372 . . . . 0.0 106.134 175.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 126.148 2.155 . . . . 0.0 109.544 -176.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -54.78 143.06 26.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.216 1.484 . . . . 0.0 109.252 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.473 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.52 34.58 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.7 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.59 19.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.729 -2.558 . . . . 0.0 105.734 175.017 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.72 46.49 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.398 2.936 . . . . 0.0 105.855 177.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.86 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.537 176.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.537 -2.764 . . . . 0.0 103.537 175.191 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.181 0.515 . . . . 0.0 109.827 178.442 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.61 37.61 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.283 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.489 -179.607 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.3 31.71 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 126.928 2.642 . . . . 0.0 108.906 178.282 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.19 163.01 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.367 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.14 49.53 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.469 4.856 . . . . 0.0 108.762 179.561 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.541 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.368 4.168 . . . . 0.0 108.057 -178.153 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.7 8.41 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.829 -1.081 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.42 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.023 0.827 . . . . 0.0 112.617 -177.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.153 0 C-N-CA 115.804 -2.358 . . . . 0.0 112.009 179.901 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.43 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.126 -1.609 . . . . 0.0 116.089 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.591 2.432 . . . . 0.0 105.992 176.176 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.586 3.053 . . . . 0.0 109.05 179.663 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.296 -1.762 . . . . 0.0 108.242 178.134 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.09 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.355 -2.26 . . . . 0.0 108.452 -179.174 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.23 44.47 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.186 4.054 . . . . 0.0 103.618 173.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.59 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.678 3.111 . . . . 0.0 111.223 -177.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.89 144.51 37.54 Favored Pre-proline 0 C--N 1.314 -0.973 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.331 174.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.49 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 122.56 2.174 . . . . 0.0 111.916 177.721 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.925 -177.543 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.51 47.47 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.873 -179.014 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.41 21.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.727 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.27 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.129 2.768 . . . . 0.0 110.41 175.751 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.5 79.08 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.865 . . . . 0.0 110.751 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.44 -44.44 87.31 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.314 1.046 . . . . 0.0 111.5 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.43 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.039 1.462 . . . . 0.0 109.319 178.503 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.97 83.74 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.751 -179.712 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.98 86.98 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 117.969 0.349 . . . . 0.0 111.237 176.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.28 86.95 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 120.341 -1.474 . . . . 0.0 110.804 176.029 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 125.498 2.57 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.74 66.59 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.709 179.142 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.692 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 -175.671 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.133 2.697 . . . . 0.0 113.954 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.4 90.1 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.521 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.86 83.22 Favored Pre-proline 0 C--O 1.243 0.728 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.003 179.714 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.87 79.12 Favored 'Trans proline' 0 C--O 1.259 1.557 0 C-N-CA 123.126 2.55 . . . . 0.0 110.933 178.214 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.63 Favored 'Trans proline' 0 C--O 1.261 1.668 0 C-N-CA 120.693 0.929 . . . . 0.0 113.433 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.62 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.957 -1.714 . . . . 0.0 112.217 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.47 28.87 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.527 -1.358 . . . . 0.0 112.005 178.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.311 2.005 . . . . 0.0 115.633 -177.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.95 23.96 Favored 'General case' 0 C--O 1.296 3.528 0 N-CA-C 104.872 -2.269 . . . . 0.0 104.872 172.133 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.456 1.025 . . . . 0.0 110.036 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.132 1.52 . . . . 0.0 111.867 -177.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.7 18.9 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.276 -2.238 . . . . 0.0 110.773 177.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.11 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 128.329 2.871 . . . . 0.0 117.486 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.69 46.3 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.26 34.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 174.521 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.36 37.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.015 -175.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.7 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.01 1.444 . . . . 0.0 109.986 -177.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.17 29.98 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.711 3.596 . . . . 0.0 120.711 -175.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.8 85.3 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.068 1.187 . . . . 0.0 116.068 -177.339 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.55 17.01 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.025 -1.868 . . . . 0.0 107.998 176.49 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.63 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.16 79.17 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.155 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.182 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.55 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.432 1.11 . . . . 0.0 110.698 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.994 179.294 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.33 18.41 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.568 1.986 . . . . 0.0 111.237 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.158 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 126.126 2.141 . . . . 0.0 109.512 -176.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 39.7 ttmt -54.81 143.09 26.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.204 1.478 . . . . 0.0 109.245 -176.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.22 10.68 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.003 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.462 2.976 . . . . 0.0 105.875 177.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.533 176.581 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.94 28.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 175.146 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.152 0.501 . . . . 0.0 109.851 178.421 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.01 41.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.339 -3.22 . . . . 0.0 105.523 -178.697 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.957 2.66 . . . . 0.0 108.95 178.282 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.376 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.17 49.51 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.5 4.875 . . . . 0.0 108.781 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.438 -3.172 . . . . 0.0 105.529 175.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.21 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 129.382 4.176 . . . . 0.0 108.011 -178.131 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -7.01 49.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.036 0.835 . . . . 0.0 112.607 -177.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.846 -2.342 . . . . 0.0 111.987 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.52 80.26 Favored Glycine 0 C--N 1.297 -1.586 0 O-C-N 120.127 -1.608 . . . . 0.0 116.166 179.764 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.1 34.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 175.001 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.634 2.459 . . . . 0.0 106.05 176.136 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.01 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 127.637 3.086 . . . . 0.0 109.027 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.227 178.135 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.97 44.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.447 -179.169 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.192 4.058 . . . . 0.0 103.616 173.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.62 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.669 3.106 . . . . 0.0 111.231 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.47 37.58 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.131 -2.304 . . . . 0.0 106.295 174.714 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.85 -24.47 38.75 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.549 2.166 . . . . 0.0 111.93 177.72 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.897 -179.04 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.4 21.25 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.3 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.164 2.79 . . . . 0.0 110.357 175.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.39 78.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.342 -0.849 . . . . 0.0 110.739 177.014 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.326 1.05 . . . . 0.0 111.493 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.49 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.068 1.48 . . . . 0.0 109.347 178.514 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.74 -38.01 83.71 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.99 86.97 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.005 0.366 . . . . 0.0 111.183 176.9 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.29 86.97 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.409 -1.432 . . . . 0.0 110.833 176.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.46 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.56 79.48 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.573 2.606 . . . . 0.0 109.056 179.417 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.75 66.47 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.74 179.127 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.45 17.96 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 -175.676 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.27 8.1 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.105 2.684 . . . . 0.0 113.975 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.306 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.543 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.9 79.4 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.159 2.573 . . . . 0.0 110.903 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.14 92.63 Favored 'Trans proline' 0 C--O 1.262 1.683 0 C-N-CA 120.692 0.928 . . . . 0.0 113.44 -179.388 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 119.986 -1.696 . . . . 0.0 112.201 -177.472 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.79 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.522 -1.361 . . . . 0.0 112.06 178.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.319 2.009 . . . . 0.0 115.584 -177.62 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.91 23.86 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.11 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.95 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 119.465 1.029 . . . . 0.0 109.961 -177.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 O-C-N 125.144 1.527 . . . . 0.0 111.894 -177.468 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.67 18.98 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.477 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.782 177.383 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.341 2.877 . . . . 0.0 117.474 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.535 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.017 -175.88 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 125.059 1.475 . . . . 0.0 109.955 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.18 30.43 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.97 85.17 Favored Glycine 0 CA--C 1.492 -1.387 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.59 17.07 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 119.999 -1.883 . . . . 0.0 108.005 176.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.64 11.61 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.112 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.21 79.37 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.132 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.152 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.24 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.505 1.145 . . . . 0.0 110.739 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.69 51.43 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.979 179.259 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.6 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.534 1.97 . . . . 0.0 111.189 179.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.153 -2.356 . . . . 0.0 106.211 175.777 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.047 2.092 . . . . 0.0 109.545 -176.851 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.447 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.73 143.0 26.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.175 1.464 . . . . 0.0 109.281 -176.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.62 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.489 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.04 159.54 34.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 174.805 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.73 52.22 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.63 19.12 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.714 174.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.72 46.5 Favored 'General case' 0 C--N 1.286 -2.157 0 O-C-N 127.406 2.941 . . . . 0.0 105.891 177.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.827 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.509 176.584 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 175.142 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.134 0.493 . . . . 0.0 109.838 178.455 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.91 34.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.243 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.468 -176.338 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 126.985 2.678 . . . . 0.0 108.92 178.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.38 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.446 4.841 . . . . 0.0 108.794 179.585 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.15 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.537 175.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.48 41.19 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.052 -178.178 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.75 8.39 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.68 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.068 0.855 . . . . 0.0 112.568 -177.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.975 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.46 80.33 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.122 -1.611 . . . . 0.0 116.136 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 174.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.586 2.429 . . . . 0.0 105.998 176.167 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 127.555 3.034 . . . . 0.0 109.048 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.77 36.6 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.209 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.381 -2.247 . . . . 0.0 108.413 -179.166 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.026 1 O-C-N 129.251 4.094 . . . . 0.0 103.577 173.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 O-C-N 127.706 3.129 . . . . 0.0 111.261 -177.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.52 37.74 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 112.194 -2.276 . . . . 0.0 106.327 174.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.46 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 122.522 2.148 . . . . 0.0 111.954 177.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.17 59.13 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.53 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.861 -179.048 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.4 21.19 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 175.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.24 77.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.168 2.792 . . . . 0.0 110.362 175.799 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.47 79.22 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.406 -0.809 . . . . 0.0 110.731 176.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.06 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 124.342 1.057 . . . . 0.0 111.507 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.28 -46.5 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.016 1.448 . . . . 0.0 109.282 178.513 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.73 -38.0 83.64 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.2 Favored 'General case' 0 C--O 1.279 2.623 0 CA-C-N 117.965 0.348 . . . . 0.0 111.215 176.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.38 87.25 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.435 -1.415 . . . . 0.0 110.861 175.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.879 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.34 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.511 2.577 . . . . 0.0 109.011 179.46 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.7 66.53 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.705 -1.588 . . . . 0.0 111.735 179.104 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 123.138 2.699 . . . . 0.0 113.957 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.37 90.11 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.873 2.309 . . . . 0.0 118.873 176.567 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.741 0 C-N-CA 118.835 -1.146 . . . . 0.0 111.005 179.678 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.92 79.48 Favored 'Trans proline' 0 C--O 1.259 1.558 0 C-N-CA 123.155 2.57 . . . . 0.0 110.935 178.183 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.262 1.708 0 C-N-CA 120.699 0.933 . . . . 0.0 113.422 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.59 63.64 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 119.931 -1.731 . . . . 0.0 112.22 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.45 28.93 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 120.505 -1.372 . . . . 0.0 112.084 178.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.313 2.006 . . . . 0.0 115.636 -177.656 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.92 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 172.109 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.465 1.03 . . . . 0.0 109.986 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 O-C-N 125.105 1.503 . . . . 0.0 111.892 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.68 18.87 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.03 19.25 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.239 -2.255 . . . . 0.0 110.779 177.346 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 61.0 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.318 2.866 . . . . 0.0 117.529 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.725 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 174.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.028 -175.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.91 139.99 36.81 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 125.111 1.507 . . . . 0.0 109.977 -177.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.12 Favored 'General case' 0 C--O 1.266 1.926 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.95 85.16 Favored Glycine 0 CA--C 1.492 -1.381 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -177.341 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 119.997 -1.884 . . . . 0.0 108.015 176.538 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.089 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.34 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.22 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.56 70.73 Favored 'General case' 0 C--O 1.269 2.103 0 C-N-CA 117.295 -1.762 . . . . 0.0 112.134 -179.473 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.33 70.6 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.453 1.121 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.708 -1.139 . . . . 0.0 112.993 179.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.36 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.548 1.976 . . . . 0.0 111.229 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.39 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.026 0 CA-C-O 115.112 -2.375 . . . . 0.0 106.176 175.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.099 2.124 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.5 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 64.1 pttt -54.74 143.02 26.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.224 1.488 . . . . 0.0 109.255 -176.9 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.07 10.59 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 179.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.12 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 175.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.723 175.012 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.79 46.38 Favored 'General case' 0 C--N 1.285 -2.199 0 O-C-N 127.446 2.966 . . . . 0.0 105.904 177.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.11 115.83 30.86 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.545 176.612 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.97 28.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.176 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.402 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 141.81 29.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.264 0 CA-C-O 113.423 -3.179 . . . . 0.0 105.479 -179.629 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.968 2.667 . . . . 0.0 108.917 178.343 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.408 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.483 4.864 . . . . 0.0 108.802 179.545 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.521 175.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.47 41.19 Favored 'General case' 0 N--CA 1.504 2.233 1 O-C-N 129.368 4.168 . . . . 0.0 108.089 -178.178 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.354 179.915 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.66 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.019 0.825 . . . . 0.0 112.595 -177.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.27 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 115.815 -2.354 . . . . 0.0 112.03 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.36 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.069 -1.644 . . . . 0.0 116.114 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.43 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.73 55.34 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.583 2.427 . . . . 0.0 106.037 176.135 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 127.572 3.045 . . . . 0.0 109.052 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.77 36.67 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.228 -1.789 . . . . 0.0 108.253 178.09 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.01 44.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.335 -2.269 . . . . 0.0 108.428 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.56 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.221 4.076 . . . . 0.0 103.554 173.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 O-C-N 127.669 3.106 . . . . 0.0 111.188 -177.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.321 174.699 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.4 39.12 Favored 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 122.58 2.187 . . . . 0.0 111.956 177.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.15 59.15 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.52 47.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.843 -179.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.43 21.23 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.23 2.831 . . . . 0.0 110.339 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.46 79.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.383 -0.823 . . . . 0.0 110.754 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.04 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.262 1.025 . . . . 0.0 111.533 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.46 89.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 125.065 1.478 . . . . 0.0 109.288 178.504 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.78 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.99 0.359 . . . . 0.0 111.226 176.879 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 120.377 -1.452 . . . . 0.0 110.774 176.019 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.42 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 125.508 2.575 . . . . 0.0 109.008 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.53 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.43 17.93 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.629 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 123.112 2.687 . . . . 0.0 113.957 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.32 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.9 83.45 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.019 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.93 79.65 Favored 'Trans proline' 0 C--O 1.26 1.594 0 C-N-CA 123.139 2.559 . . . . 0.0 110.933 178.227 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.65 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.863 0.928 . . . . 0.0 113.427 -179.358 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 119.925 -1.735 . . . . 0.0 112.251 -177.46 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.79 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.474 -1.392 . . . . 0.0 112.027 178.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.7 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.323 2.011 . . . . 0.0 115.648 -177.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.95 23.93 Favored 'General case' 0 C--O 1.296 3.505 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.439 1.018 . . . . 0.0 109.952 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 125.183 1.552 . . . . 0.0 111.856 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.513 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.807 177.372 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.51 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.364 2.888 . . . . 0.0 117.496 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.736 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 103.792 -2.67 . . . . 0.0 103.792 174.538 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.35 37.46 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.02 -175.863 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.01 36.68 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.13 1.519 . . . . 0.0 109.973 -177.722 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.833 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.492 -1.393 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 -177.343 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.55 17.05 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 119.941 -1.917 . . . . 0.0 107.975 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.56 11.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.13 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.23 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.171 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.298 -1.761 . . . . 0.0 112.188 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.28 70.59 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.492 1.139 . . . . 0.0 110.718 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.955 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.41 18.54 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 121.58 1.991 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.72 116.45 30.4 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.103 -2.379 . . . . 0.0 106.164 175.858 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.129 2.143 . . . . 0.0 109.531 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 23.1 pttp -54.74 143.0 26.67 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.233 1.492 . . . . 0.0 109.282 -176.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.442 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.777 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.15 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.278 -0.867 . . . . 0.0 108.665 175.955 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.23 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 114.686 -2.578 . . . . 0.0 105.702 175.02 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.73 46.52 Favored 'General case' 0 C--N 1.285 -2.216 0 O-C-N 127.455 2.972 . . . . 0.0 105.856 177.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.88 30.95 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.678 -1.154 . . . . 0.0 111.519 176.576 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.88 28.79 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.122 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.198 0.523 . . . . 0.0 109.821 178.435 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.61 34.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.285 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.519 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.978 2.673 . . . . 0.0 108.93 178.319 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.397 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.472 4.857 . . . . 0.0 108.79 179.555 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.24 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 113.37 -3.205 . . . . 0.0 105.522 175.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.19 127.53 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.431 4.207 . . . . 0.0 108.028 -178.162 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.92 49.49 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.02 0.825 . . . . 0.0 112.61 -177.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.9 30.51 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.792 -2.363 . . . . 0.0 111.996 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.126 -1.609 . . . . 0.0 116.146 179.725 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.03 34.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 175.047 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.78 55.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.576 2.422 . . . . 0.0 106.005 176.182 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.95 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 127.559 3.037 . . . . 0.0 109.063 179.626 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.85 36.54 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 117.285 -1.766 . . . . 0.0 108.216 178.116 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.08 44.23 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.446 -179.192 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.91 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.993 1 O-C-N 129.185 4.053 . . . . 0.0 103.575 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.655 3.097 . . . . 0.0 111.235 -177.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.47 37.54 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.359 174.721 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.49 39.17 Favored 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 122.564 2.176 . . . . 0.0 111.933 177.715 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.11 59.11 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.907 -177.505 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.1 148.52 47.39 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.376 -1.73 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.726 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.179 2.799 . . . . 0.0 110.373 175.765 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.47 79.0 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.4 -0.812 . . . . 0.0 110.707 176.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.44 87.01 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 124.323 1.049 . . . . 0.0 111.511 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.056 1.473 . . . . 0.0 109.305 178.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.99 84.01 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.28 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 118.027 0.376 . . . . 0.0 111.217 176.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.1 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.396 -1.44 . . . . 0.0 110.852 175.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.48 77.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.539 2.59 . . . . 0.0 108.991 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.767 179.118 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.629 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.41 8.09 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.121 2.692 . . . . 0.0 113.975 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.41 90.08 Favored Glycine 0 CA--C 1.478 -2.247 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.026 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.176 2.584 . . . . 0.0 110.904 178.198 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.77 Favored 'Trans proline' 0 C--O 1.262 1.686 0 C-N-CA 120.683 0.922 . . . . 0.0 113.399 -179.365 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 119.99 -1.694 . . . . 0.0 112.211 -177.436 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.92 -10.41 28.84 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.559 -1.338 . . . . 0.0 112.001 178.695 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 124.289 1.995 . . . . 0.0 115.675 -177.678 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.94 23.95 Favored 'General case' 0 C--O 1.297 3.573 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 172.137 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.94 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.479 1.036 . . . . 0.0 109.994 -177.524 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.184 1.552 . . . . 0.0 111.892 -177.471 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 177.536 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.0 19.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.771 177.367 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.64 61.0 Favored Glycine 0 N--CA 1.433 -1.563 0 C-N-CA 128.333 2.873 . . . . 0.0 117.509 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.6 46.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.699 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.37 37.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 117.749 -1.12 . . . . 0.0 110.021 -175.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.01 36.71 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 125.047 1.467 . . . . 0.0 109.982 -177.79 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.55 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.82 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.27 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 116.079 1.192 . . . . 0.0 116.079 -177.315 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.03 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 119.984 -1.892 . . . . 0.0 107.997 176.514 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.57 11.65 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.1 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.26 79.29 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.156 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.048 0 C-N-CA 117.306 -1.758 . . . . 0.0 112.147 -179.517 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.454 1.121 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.61 51.63 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.014 179.268 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.518 1.963 . . . . 0.0 111.178 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.41 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.164 175.822 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.079 2.112 . . . . 0.0 109.528 -176.868 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 17.1 pttp -54.75 143.07 26.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.211 1.481 . . . . 0.0 109.255 -176.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.49 34.59 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.797 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.58 19.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.714 175.045 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.36 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.412 2.945 . . . . 0.0 105.853 177.956 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.783 0 CA-C-O 117.657 -1.163 . . . . 0.0 111.506 176.574 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 175.115 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.216 0.532 . . . . 0.0 109.783 178.472 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.16 38.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.288 0 CA-C-O 113.375 -3.203 . . . . 0.0 105.526 179.385 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 126.954 2.659 . . . . 0.0 108.931 178.312 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.382 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.432 4.833 . . . . 0.0 108.777 179.566 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.18 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 113.349 -3.215 . . . . 0.0 105.485 175.806 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.48 41.18 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.476 4.235 . . . . 0.0 108.076 -178.195 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.94 49.53 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.978 0.799 . . . . 0.0 112.611 -177.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.06 30.04 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.829 -2.348 . . . . 0.0 111.974 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.149 -1.594 . . . . 0.0 116.137 179.745 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.03 34.45 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.56 2.413 . . . . 0.0 106.009 176.143 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.04 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 127.571 3.045 . . . . 0.0 109.05 179.677 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.213 178.139 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.425 -179.219 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.23 44.52 Favored 'General case' 0 N--CA 1.5 2.029 1 O-C-N 129.256 4.097 . . . . 0.0 103.558 174.003 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.681 3.113 . . . . 0.0 111.219 -177.879 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.15 -2.295 . . . . 0.0 106.323 174.732 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.48 39.36 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 122.518 2.145 . . . . 0.0 112.007 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.872 -177.519 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.54 47.38 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.85 -179.058 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.24 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 O-C-N 127.157 2.786 . . . . 0.0 110.365 175.799 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.45 79.21 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.41 -0.807 . . . . 0.0 110.712 177.013 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.07 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.351 1.06 . . . . 0.0 111.484 -179.641 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.46 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.073 1.483 . . . . 0.0 109.276 178.561 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -37.99 83.68 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.601 0 CA-C-N 118.011 0.369 . . . . 0.0 111.243 176.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.32 87.06 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.429 -1.419 . . . . 0.0 110.794 176.019 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.5 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.57 79.43 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.465 2.555 . . . . 0.0 109.012 179.458 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.75 66.65 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.765 179.109 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.41 17.99 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.629 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.121 2.691 . . . . 0.0 113.917 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.41 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.869 2.308 . . . . 0.0 118.869 176.546 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.005 179.718 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.185 2.59 . . . . 0.0 110.895 178.221 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.716 0 C-N-CA 120.673 0.915 . . . . 0.0 113.421 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.96 -1.713 . . . . 0.0 112.217 -177.461 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.49 -1.381 . . . . 0.0 112.045 178.671 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.68 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.349 2.023 . . . . 0.0 115.633 -177.71 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.89 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.087 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.459 1.027 . . . . 0.0 109.973 -177.543 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.139 1.525 . . . . 0.0 111.867 -177.47 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.95 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.516 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.194 -2.275 . . . . 0.0 110.777 177.394 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.38 2.895 . . . . 0.0 117.504 -179.471 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.63 46.37 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.694 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 174.601 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.015 -175.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.04 36.68 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.019 1.449 . . . . 0.0 109.968 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.98 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 120.735 3.605 . . . . 0.0 120.735 -175.834 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 116.147 1.219 . . . . 0.0 116.147 -177.414 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.6 16.99 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 120.023 -1.869 . . . . 0.0 107.991 176.497 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.1 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.28 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.196 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.181 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.31 70.43 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.435 1.112 . . . . 0.0 110.733 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.67 51.48 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 117.676 -1.155 . . . . 0.0 113.006 179.299 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.37 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 121.544 1.974 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.18 -2.343 . . . . 0.0 106.185 175.788 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.56 8.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.043 2.09 . . . . 0.0 109.5 -176.834 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.433 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 14.2 mttp -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.195 1.474 . . . . 0.0 109.306 -176.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.14 10.59 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.814 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.972 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.74 174.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.285 -2.233 0 O-C-N 127.391 2.932 . . . . 0.0 105.882 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.86 30.92 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.532 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.97 28.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 175.165 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.204 0.526 . . . . 0.0 109.845 178.433 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.12 36.93 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.249 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.472 178.523 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 126.991 2.682 . . . . 0.0 108.938 178.355 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.433 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.15 49.54 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.477 4.861 . . . . 0.0 108.784 179.555 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.427 -3.178 . . . . 0.0 105.519 175.825 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.24 Favored 'General case' 0 N--CA 1.505 2.32 1 O-C-N 129.406 4.191 . . . . 0.0 108.043 -178.145 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.91 49.35 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.062 0.851 . . . . 0.0 112.582 -177.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.828 -2.349 . . . . 0.0 112.023 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.45 80.4 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.106 -1.621 . . . . 0.0 116.114 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.75 55.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 126.594 2.434 . . . . 0.0 106.037 176.156 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.43 141.99 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.558 3.036 . . . . 0.0 109.019 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.58 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.211 -1.796 . . . . 0.0 108.215 178.134 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 153.98 44.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.448 -179.214 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.166 4.041 . . . . 0.0 103.577 174.032 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.698 3.124 . . . . 0.0 111.205 -177.869 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.316 174.656 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.45 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.534 2.156 . . . . 0.0 111.94 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.862 -177.515 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.49 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.876 -179.016 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.39 21.29 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.696 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 127.178 2.799 . . . . 0.0 110.404 175.752 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.43 79.02 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.318 -0.864 . . . . 0.0 110.729 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.91 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.93 83.66 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.76 -179.741 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.34 Favored 'General case' 0 C--O 1.279 2.625 0 CA-C-N 117.977 0.353 . . . . 0.0 111.206 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.26 86.88 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.342 -1.474 . . . . 0.0 110.812 176.024 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.51 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.897 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.13 -48.64 79.2 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.508 2.575 . . . . 0.0 109.002 179.414 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.308 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.76 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.41 17.93 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -175.655 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.36 8.12 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.152 2.706 . . . . 0.0 113.987 179.821 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.43 90.11 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.511 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.009 179.676 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.06 137.0 79.97 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.171 2.581 . . . . 0.0 110.909 178.193 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.73 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.718 0.945 . . . . 0.0 113.393 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.807 0 O-C-N 119.938 -1.726 . . . . 0.0 112.189 -177.432 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.529 -1.357 . . . . 0.0 112.049 178.664 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 124.306 2.003 . . . . 0.0 115.621 -177.644 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.84 -2.282 . . . . 0.0 104.84 172.133 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.08 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 119.466 1.03 . . . . 0.0 109.974 -177.576 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.131 1.519 . . . . 0.0 111.897 -177.545 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.69 18.97 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.516 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.97 19.44 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.768 177.4 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.58 61.19 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 128.291 2.853 . . . . 0.0 117.457 -179.531 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 177.673 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.569 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.44 37.49 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.004 -175.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 139.94 36.83 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.708 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.2 29.52 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 -175.834 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.87 85.26 Favored Glycine 0 CA--C 1.492 -1.356 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 -177.279 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 120.028 -1.866 . . . . 0.0 107.99 176.509 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.154 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.197 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.92 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.151 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.29 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.454 1.121 . . . . 0.0 110.764 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.44 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.991 179.259 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.41 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 121.526 1.966 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.035 0 CA-C-O 115.074 -2.394 . . . . 0.0 106.18 175.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.5 8.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.12 2.138 . . . . 0.0 109.516 -176.864 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.523 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.69 143.05 26.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.215 1.483 . . . . 0.0 109.292 -176.924 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.494 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.52 34.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.75 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.74 52.26 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.713 -2.565 . . . . 0.0 105.712 175.046 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.411 2.944 . . . . 0.0 105.907 177.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.523 176.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.149 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.165 0.507 . . . . 0.0 109.87 178.424 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.92 34.43 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.305 0 CA-C-O 113.369 -3.205 . . . . 0.0 105.548 -179.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.908 2.63 . . . . 0.0 108.912 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 173.375 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.19 49.49 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.449 4.843 . . . . 0.0 108.733 179.614 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 113.368 -3.206 . . . . 0.0 105.468 175.837 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.21 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.458 4.224 . . . . 0.0 108.081 -178.192 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.38 -6.98 49.69 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.077 0.86 . . . . 0.0 112.598 -177.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 115.838 -2.345 . . . . 0.0 112.004 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.117 -1.614 . . . . 0.0 116.138 179.759 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 174.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.659 2.474 . . . . 0.0 106.063 176.177 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.624 3.077 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.83 36.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.228 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.458 -179.191 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.18 44.33 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.229 4.08 . . . . 0.0 103.559 173.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.63 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.678 3.111 . . . . 0.0 111.184 -177.87 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.54 37.73 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.363 174.655 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.39 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.503 2.135 . . . . 0.0 111.984 177.752 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.14 59.15 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.897 -177.509 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.45 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 117.348 -1.741 . . . . 0.0 109.826 -179.007 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.4 21.25 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.716 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 127.201 2.813 . . . . 0.0 110.386 175.795 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.43 79.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.352 -0.842 . . . . 0.0 110.737 176.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.47 86.99 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 124.374 1.069 . . . . 0.0 111.507 -179.626 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.38 -46.45 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.062 1.476 . . . . 0.0 109.277 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -38.03 83.81 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.21 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-N 118.002 0.364 . . . . 0.0 111.186 176.875 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.438 -1.414 . . . . 0.0 110.833 176.021 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.4 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.58 79.27 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.514 2.578 . . . . 0.0 109.043 179.468 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.74 66.58 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.707 179.132 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.36 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -175.639 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.33 8.09 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.094 2.679 . . . . 0.0 113.95 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.11 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.494 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.86 83.25 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.995 179.747 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.139 2.559 . . . . 0.0 110.922 178.21 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.71 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 122.879 0.936 . . . . 0.0 113.376 -179.32 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.62 63.65 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.98 -1.7 . . . . 0.0 112.205 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.46 29.0 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.507 -1.371 . . . . 0.0 112.05 178.711 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 124.311 2.005 . . . . 0.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.126 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.427 1.012 . . . . 0.0 110.0 -177.57 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.128 1.517 . . . . 0.0 111.926 -177.531 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.69 18.9 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.505 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.97 19.54 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.814 177.39 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.51 61.09 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.378 2.894 . . . . 0.0 117.523 -179.444 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.7 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 174.56 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.36 37.49 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.734 -1.126 . . . . 0.0 110.031 -175.895 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.0 36.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.047 1.467 . . . . 0.0 109.977 -177.747 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.25 29.29 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.737 3.606 . . . . 0.0 120.737 -175.788 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.491 -1.42 0 N-CA-C 116.085 1.194 . . . . 0.0 116.085 -177.362 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.53 17.09 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.003 -1.881 . . . . 0.0 107.969 176.528 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.54 11.68 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.121 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.136 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.16 -179.481 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.33 70.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.457 1.123 . . . . 0.0 110.717 179.791 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.42 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.967 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.98 45.28 18.34 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 121.596 1.998 . . . . 0.0 111.159 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.37 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.126 -2.369 . . . . 0.0 106.105 175.867 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 126.087 2.117 . . . . 0.0 109.489 -176.86 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -54.75 143.04 26.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.231 1.491 . . . . 0.0 109.281 -176.937 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.63 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.787 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.76 52.31 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 114.668 -2.587 . . . . 0.0 105.717 175.01 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.44 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.448 2.968 . . . . 0.0 105.854 177.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.475 176.598 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.9 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.068 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.158 0.504 . . . . 0.0 109.848 178.473 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.28 33.91 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.503 -179.391 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.987 2.679 . . . . 0.0 108.952 178.305 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.691 173.394 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.471 4.857 . . . . 0.0 108.82 179.556 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 113.382 -3.199 . . . . 0.0 105.516 175.807 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.408 4.192 . . . . 0.0 108.08 -178.176 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.34 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.084 0.865 . . . . 0.0 112.576 -177.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 14.99 30.25 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.762 -2.375 . . . . 0.0 111.994 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.47 80.35 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.147 -1.595 . . . . 0.0 116.131 179.763 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.03 34.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 174.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.72 55.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.644 2.465 . . . . 0.0 106.03 176.155 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.623 3.077 . . . . 0.0 109.0 179.668 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.225 178.12 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.99 44.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.318 -2.277 . . . . 0.0 108.451 -179.186 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.18 44.37 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.265 4.103 . . . . 0.0 103.531 174.004 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.62 15.88 Favored 'Isoleucine or valine' 0 C--O 1.252 1.188 0 O-C-N 127.731 3.144 . . . . 0.0 111.218 -177.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.183 -2.281 . . . . 0.0 106.269 174.699 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.47 39.03 Favored 'Trans proline' 0 C--N 1.319 -0.982 0 C-N-CA 122.554 2.169 . . . . 0.0 111.961 177.687 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.15 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.918 -177.525 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.885 -179.056 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.42 21.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.702 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.21 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.213 2.821 . . . . 0.0 110.353 175.806 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.66 -40.39 79.24 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.342 -0.848 . . . . 0.0 110.753 176.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.58 -44.45 86.63 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 124.367 1.067 . . . . 0.0 111.565 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.44 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.061 1.475 . . . . 0.0 109.275 178.524 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.99 83.88 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.809 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.95 86.99 Favored 'General case' 0 C--O 1.279 2.63 0 CA-C-N 117.967 0.348 . . . . 0.0 111.214 176.863 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.396 -1.44 . . . . 0.0 110.789 176.027 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.6 79.26 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.534 2.588 . . . . 0.0 109.016 179.463 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.62 66.64 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.743 179.132 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.66 -24.39 17.9 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -175.634 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.32 8.09 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 123.178 2.717 . . . . 0.0 113.97 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.34 90.15 Favored Glycine 0 CA--C 1.477 -2.314 0 N-CA-C 118.871 2.309 . . . . 0.0 118.871 176.539 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.95 79.64 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.169 2.579 . . . . 0.0 110.906 178.251 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.262 1.685 0 O-C-N 122.857 0.925 . . . . 0.0 113.43 -179.331 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.59 63.64 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.956 -1.715 . . . . 0.0 112.249 -177.482 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.77 -10.55 28.83 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 120.459 -1.401 . . . . 0.0 112.023 178.692 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.76 34.78 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.338 2.018 . . . . 0.0 115.664 -177.66 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.94 23.91 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.142 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.489 1.04 . . . . 0.0 110.001 -177.595 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.83 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 O-C-N 125.159 1.537 . . . . 0.0 111.951 -177.522 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.542 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.97 19.39 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.775 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.58 61.21 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.398 2.904 . . . . 0.0 117.5 -179.497 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.66 46.35 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.703 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 174.601 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.011 -175.9 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.052 1.47 . . . . 0.0 109.967 -177.747 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.93 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.8 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.25 Favored Glycine 0 CA--C 1.491 -1.414 0 N-CA-C 116.095 1.198 . . . . 0.0 116.095 -177.323 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.57 17.0 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.969 -1.9 . . . . 0.0 107.969 176.554 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.129 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.178 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.58 70.73 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.289 -1.765 . . . . 0.0 112.18 -179.447 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.3 70.67 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.453 1.12 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.673 -1.156 . . . . 0.0 112.997 179.261 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.4 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.598 1.999 . . . . 0.0 111.166 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.39 30.29 Favored 'Isoleucine or valine' 0 C--O 1.269 2.082 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.165 175.818 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 126.127 2.142 . . . . 0.0 109.544 -176.917 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.242 1.496 . . . . 0.0 109.223 -176.853 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.13 10.61 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.889 2.552 . . . . 0.0 117.889 179.437 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 174.825 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.71 52.2 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.944 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.731 -2.557 . . . . 0.0 105.726 174.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.387 2.929 . . . . 0.0 105.89 177.969 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.795 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.526 176.588 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.17 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.162 0.506 . . . . 0.0 109.858 178.447 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.07 35.67 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.23 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.539 -178.937 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.685 . . . . 0.0 108.899 178.347 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 173.407 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.457 4.848 . . . . 0.0 108.77 179.585 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.515 175.81 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.47 41.23 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.411 4.195 . . . . 0.0 108.077 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.98 49.78 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.076 0.86 . . . . 0.0 112.584 -177.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.05 30.05 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 115.826 -2.349 . . . . 0.0 111.995 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.617 0 O-C-N 120.106 -1.621 . . . . 0.0 116.145 179.787 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 174.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.571 2.419 . . . . 0.0 106.05 176.144 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.579 3.05 . . . . 0.0 109.018 179.689 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.78 36.69 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.223 178.134 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.417 -179.204 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.179 4.049 . . . . 0.0 103.548 174.028 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.74 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.693 3.12 . . . . 0.0 111.2 -177.9 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.7 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.312 174.725 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.45 39.37 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.586 2.191 . . . . 0.0 111.904 177.713 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.15 59.16 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.897 -177.467 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.43 47.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.374 -1.73 . . . . 0.0 109.864 -179.05 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.729 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.245 2.841 . . . . 0.0 110.369 175.77 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.41 79.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.383 -0.823 . . . . 0.0 110.713 177.042 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.49 86.92 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.304 1.042 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.43 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.037 1.461 . . . . 0.0 109.345 178.484 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.802 -179.82 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.11 87.43 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.992 0.36 . . . . 0.0 111.184 176.926 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 120.384 -1.448 . . . . 0.0 110.826 175.982 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.45 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.62 79.19 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.524 2.583 . . . . 0.0 108.988 179.51 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.73 66.49 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.734 179.139 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.66 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.143 2.701 . . . . 0.0 114.003 179.782 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.883 2.313 . . . . 0.0 118.883 176.505 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.748 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.998 179.726 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.9 79.43 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.164 2.576 . . . . 0.0 110.929 178.178 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.14 92.73 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.858 0.925 . . . . 0.0 113.389 -179.373 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.264 1.822 0 O-C-N 119.955 -1.715 . . . . 0.0 112.164 -177.443 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.473 -1.392 . . . . 0.0 112.07 178.69 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.67 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.34 2.019 . . . . 0.0 115.615 -177.66 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.153 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.3 51.1 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.51 1.05 . . . . 0.0 109.987 -177.56 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.203 1.564 . . . . 0.0 111.877 -177.482 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.65 18.93 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.491 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.96 19.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.747 177.355 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.61 61.1 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.346 2.879 . . . . 0.0 117.449 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.691 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.538 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.32 37.43 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.021 -175.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 139.98 36.73 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.03 1.457 . . . . 0.0 109.933 -177.762 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.27 29.0 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.638 3.57 . . . . 0.0 120.638 -175.791 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.89 85.26 Favored Glycine 0 CA--C 1.491 -1.429 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -177.326 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 119.94 -1.917 . . . . 0.0 108.0 176.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.59 11.65 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.24 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.194 -179.464 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.58 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.487 1.137 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.61 51.56 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.986 179.272 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.43 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 121.571 1.987 . . . . 0.0 111.21 179.861 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.177 175.834 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 126.069 2.106 . . . . 0.0 109.522 -176.835 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.504 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 20.9 pttm -54.68 143.01 26.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.18 1.467 . . . . 0.0 109.242 -176.906 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.73 52.24 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.898 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.728 174.985 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.41 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.421 2.95 . . . . 0.0 105.894 177.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.524 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.9 28.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 175.114 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.197 0.522 . . . . 0.0 109.858 178.419 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.0 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.73 36.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.287 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.508 -175.852 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.21 31.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.928 2.642 . . . . 0.0 108.941 178.328 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.394 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.495 4.872 . . . . 0.0 108.769 179.574 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.433 -3.175 . . . . 0.0 105.489 175.79 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.48 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.381 4.176 . . . . 0.0 108.063 -178.169 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.18 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.017 0.823 . . . . 0.0 112.572 -177.953 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.778 -2.369 . . . . 0.0 112.015 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.34 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.072 -1.642 . . . . 0.0 116.088 179.742 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.587 2.429 . . . . 0.0 106.038 176.145 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.555 3.035 . . . . 0.0 109.039 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.237 178.144 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.22 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.375 -2.25 . . . . 0.0 108.461 -179.22 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.043 1 O-C-N 129.201 4.063 . . . . 0.0 103.527 174.009 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 O-C-N 127.687 3.117 . . . . 0.0 111.233 -177.957 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.362 174.658 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.26 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 122.578 2.185 . . . . 0.0 111.974 177.705 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.2 59.17 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.935 -177.52 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.841 -179.027 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.718 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 127.174 2.796 . . . . 0.0 110.393 175.776 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.401 -0.812 . . . . 0.0 110.745 176.983 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.01 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 124.343 1.057 . . . . 0.0 111.494 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.41 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.108 1.505 . . . . 0.0 109.318 178.525 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.77 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.759 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-N 118.022 0.373 . . . . 0.0 111.252 176.853 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.19 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.369 -1.457 . . . . 0.0 110.801 175.999 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.914 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.57 79.39 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.494 2.569 . . . . 0.0 109.015 179.445 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.68 66.59 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.671 -1.604 . . . . 0.0 111.721 179.149 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.48 17.95 Favored 'General case' 0 C--O 1.28 2.682 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.676 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 123.166 2.712 . . . . 0.0 113.956 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.37 90.1 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.906 2.322 . . . . 0.0 118.906 176.543 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.83 83.3 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.55 Favored 'Trans proline' 0 C--O 1.26 1.591 0 C-N-CA 123.167 2.578 . . . . 0.0 110.914 178.206 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.697 0.932 . . . . 0.0 113.46 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.967 -1.708 . . . . 0.0 112.201 -177.467 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.507 -1.371 . . . . 0.0 112.026 178.689 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.74 34.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 124.306 2.003 . . . . 0.0 115.663 -177.638 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.94 23.91 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 172.157 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.06 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.493 1.042 . . . . 0.0 109.992 -177.568 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.144 1.527 . . . . 0.0 111.924 -177.489 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.515 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.47 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.792 177.384 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.57 61.07 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 128.389 2.9 . . . . 0.0 117.499 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.724 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.509 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.007 -175.892 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.092 1.495 . . . . 0.0 109.963 -177.741 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.15 30.28 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.682 3.586 . . . . 0.0 120.682 -175.801 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.24 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.113 1.205 . . . . 0.0 116.113 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.52 17.05 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 120.029 -1.865 . . . . 0.0 107.987 176.512 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.112 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.18 79.12 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.163 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.6 70.75 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 117.314 -1.754 . . . . 0.0 112.124 -179.423 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.405 1.097 . . . . 0.0 110.699 179.768 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.42 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.983 179.286 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.3 18.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.569 1.986 . . . . 0.0 111.185 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.4 30.26 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.128 -2.367 . . . . 0.0 106.161 175.864 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.097 2.123 . . . . 0.0 109.555 -176.848 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 38.2 ttpt -54.73 142.99 26.64 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.207 1.479 . . . . 0.0 109.26 -176.932 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.09 10.58 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.927 2.566 . . . . 0.0 117.927 179.491 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.49 34.61 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.952 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.73 174.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.414 2.946 . . . . 0.0 105.862 177.919 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.489 176.56 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.084 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.235 0.54 . . . . 0.0 109.804 178.489 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.99 37.11 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.25 0 CA-C-O 113.394 -3.193 . . . . 0.0 105.492 179.028 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 126.991 2.682 . . . . 0.0 108.896 178.333 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 162.98 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.385 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.22 49.44 Favored 'General case' 0 N--CA 1.512 2.641 1 O-C-N 130.468 4.855 . . . . 0.0 108.789 179.58 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.49 175.86 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.48 41.22 Favored 'General case' 0 N--CA 1.505 2.276 1 O-C-N 129.416 4.197 . . . . 0.0 108.048 -178.173 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.75 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.071 0.857 . . . . 0.0 112.582 -177.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.834 -2.346 . . . . 0.0 112.041 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.137 -1.602 . . . . 0.0 116.126 179.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.002 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.82 55.37 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 126.588 2.43 . . . . 0.0 106.02 176.165 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.557 3.036 . . . . 0.0 109.071 179.609 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.278 -1.769 . . . . 0.0 108.201 178.129 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.39 -179.181 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.47 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.197 4.061 . . . . 0.0 103.597 173.963 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.7 15.69 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.619 3.075 . . . . 0.0 111.229 -177.869 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.35 174.645 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.46 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.545 2.163 . . . . 0.0 111.973 177.674 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.899 -177.507 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.54 47.47 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.329 -1.748 . . . . 0.0 109.904 -179.072 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.708 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 O-C-N 127.169 2.793 . . . . 0.0 110.351 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.2 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.382 -0.824 . . . . 0.0 110.707 177.021 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.93 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.339 1.056 . . . . 0.0 111.5 -179.6 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.086 1.491 . . . . 0.0 109.302 178.529 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.98 83.85 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.11 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-N 117.977 0.353 . . . . 0.0 111.21 176.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.28 86.95 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.367 -1.458 . . . . 0.0 110.833 175.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.44 77.38 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.55 79.5 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.019 179.486 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.64 66.68 Favored 'General case' 0 C--O 1.254 1.328 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.728 179.137 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.65 -24.38 17.91 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -175.702 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.142 2.701 . . . . 0.0 113.964 179.789 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.916 2.326 . . . . 0.0 118.916 176.561 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.29 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.029 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.147 2.565 . . . . 0.0 110.91 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.08 92.55 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.877 0.935 . . . . 0.0 113.427 -179.408 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.6 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.969 -1.707 . . . . 0.0 112.227 -177.413 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.51 28.77 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.502 -1.374 . . . . 0.0 112.032 178.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.325 2.012 . . . . 0.0 115.585 -177.575 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.87 23.83 Favored 'General case' 0 C--O 1.296 3.516 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.103 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.53 130.3 50.9 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.461 1.028 . . . . 0.0 109.971 -177.555 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.83 72.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 125.128 1.517 . . . . 0.0 111.878 -177.475 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.64 18.89 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.51 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 112.245 -2.252 . . . . 0.0 110.768 177.394 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.5 61.11 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.296 2.855 . . . . 0.0 117.553 -179.49 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.4 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.708 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.32 37.5 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.029 -175.895 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.061 1.476 . . . . 0.0 109.973 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.19 29.01 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.781 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.87 85.23 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.117 1.207 . . . . 0.0 116.117 -177.341 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.59 17.02 Favored 'General case' 0 C--O 1.249 1.079 0 O-C-N 119.983 -1.893 . . . . 0.0 108.029 176.463 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.59 11.65 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.17 79.21 Favored 'General case' 0 C--O 1.203 -1.39 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.165 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.331 -1.748 . . . . 0.0 112.164 -179.453 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.459 1.123 . . . . 0.0 110.759 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.997 179.254 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.34 18.61 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-N 121.538 1.972 . . . . 0.0 111.196 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.033 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.165 175.807 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.174 2.171 . . . . 0.0 109.506 -176.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -54.75 143.02 26.64 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.205 1.479 . . . . 0.0 109.242 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 179.45 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.788 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.71 52.24 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.923 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.66 19.1 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.721 -2.561 . . . . 0.0 105.706 174.995 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.45 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 127.398 2.936 . . . . 0.0 105.872 177.951 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.85 30.9 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.609 -1.186 . . . . 0.0 111.502 176.558 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.93 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.104 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.173 0.511 . . . . 0.0 109.875 178.393 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.9 38.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.236 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.517 -179.374 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.486 ' H ' ' HE2' ' B' ' 63' ' ' LYS . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.943 2.652 . . . . 0.0 108.941 178.279 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 173.361 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.667 1 O-C-N 130.436 4.835 . . . . 0.0 108.784 179.571 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.482 175.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.52 41.19 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.422 4.201 . . . . 0.0 108.039 -178.132 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.79 8.35 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.9 49.33 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.053 0.846 . . . . 0.0 112.601 -177.952 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 115.838 -2.345 . . . . 0.0 111.972 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.38 80.38 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.097 -1.627 . . . . 0.0 116.113 179.732 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.11 34.33 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 174.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 126.629 2.456 . . . . 0.0 106.031 176.162 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 127.606 3.066 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.73 36.66 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.232 178.14 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.38 154.0 44.17 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.439 -179.188 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.22 4.075 . . . . 0.0 103.587 173.974 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.62 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.706 3.128 . . . . 0.0 111.202 -177.91 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.295 174.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.41 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.497 2.131 . . . . 0.0 111.944 177.698 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.875 -177.498 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.98 148.51 47.58 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.746 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.23 77.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.152 2.782 . . . . 0.0 110.382 175.738 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.49 79.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.736 176.941 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.5 87.13 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.302 1.041 . . . . 0.0 111.568 -179.659 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.44 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.044 1.465 . . . . 0.0 109.302 178.491 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.83 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.721 -179.761 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.09 87.38 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.029 0.377 . . . . 0.0 111.232 176.916 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.26 86.87 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.448 -1.407 . . . . 0.0 110.819 176.026 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.44 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.249 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.45 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.559 2.599 . . . . 0.0 109.002 179.471 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.63 66.65 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.39 17.94 Favored 'General case' 0 C--O 1.279 2.632 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.39 8.07 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.111 2.687 . . . . 0.0 113.981 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.16 Favored Glycine 0 CA--C 1.478 -2.225 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.525 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.86 83.41 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.062 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.35 Favored 'Trans proline' 0 C--O 1.259 1.535 0 C-N-CA 123.153 2.568 . . . . 0.0 110.935 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.07 92.59 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.871 0.932 . . . . 0.0 113.405 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.948 -1.72 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.515 -1.366 . . . . 0.0 112.009 178.703 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.77 34.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.311 2.005 . . . . 0.0 115.629 -177.611 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.33 115.95 23.9 Favored 'General case' 0 C--O 1.296 3.503 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 172.129 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.414 1.006 . . . . 0.0 109.968 -177.524 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 125.111 1.507 . . . . 0.0 111.92 -177.508 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 177.514 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.68 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.813 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.56 61.13 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 128.366 2.888 . . . . 0.0 117.464 -179.524 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.6 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 174.525 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.37 37.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.019 -175.896 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.98 36.77 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.042 1.464 . . . . 0.0 109.976 -177.776 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.21 29.24 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.744 3.609 . . . . 0.0 120.744 -175.85 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.3 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.56 17.01 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 120.04 -1.859 . . . . 0.0 107.988 176.518 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 177.111 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.158 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.96 -29.58 70.73 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.175 -179.444 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.466 1.127 . . . . 0.0 110.698 179.766 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.969 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.59 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.599 1.999 . . . . 0.0 111.236 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.212 -2.328 . . . . 0.0 106.157 175.826 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.5 8.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 126.078 2.111 . . . . 0.0 109.467 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.486 ' HE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -54.72 142.99 26.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.176 1.465 . . . . 0.0 109.296 -176.937 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.1 10.57 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.919 2.562 . . . . 0.0 117.919 179.508 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.747 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.17 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.663 176.015 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.741 174.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.78 46.42 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.421 2.95 . . . . 0.0 105.885 177.947 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.471 176.592 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 175.105 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.213 0.53 . . . . 0.0 109.833 178.459 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 140.1 31.27 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.261 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.558 -179.22 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.992 2.683 . . . . 0.0 108.941 178.319 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 CA-C-O 115.972 -1.966 . . . . 0.0 105.698 173.365 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.11 49.56 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.421 4.825 . . . . 0.0 108.759 179.583 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.02 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.508 175.815 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.51 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.377 4.173 . . . . 0.0 108.036 -178.156 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.91 49.44 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.039 0.837 . . . . 0.0 112.61 -177.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.796 -2.362 . . . . 0.0 111.989 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.51 80.27 Favored Glycine 0 C--N 1.297 -1.61 0 O-C-N 120.083 -1.636 . . . . 0.0 116.158 179.785 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.45 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.97 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.81 55.36 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.614 2.447 . . . . 0.0 106.005 176.135 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.53 3.019 . . . . 0.0 109.072 179.621 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.69 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.241 -1.784 . . . . 0.0 108.233 178.129 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.498 1.971 1 O-C-N 129.183 4.052 . . . . 0.0 103.568 174.021 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 127.697 3.123 . . . . 0.0 111.226 -177.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.174 -2.284 . . . . 0.0 106.309 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.41 39.39 Favored 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 122.587 2.192 . . . . 0.0 111.951 177.664 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.07 -0.966 . . . . 0.0 110.876 -177.463 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.53 47.4 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.876 -179.047 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.686 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.26 77.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.203 2.814 . . . . 0.0 110.39 175.791 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.19 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.742 176.976 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.48 87.11 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 124.288 1.035 . . . . 0.0 111.525 -179.652 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.41 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.038 1.461 . . . . 0.0 109.311 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.95 83.75 Favored 'General case' 0 C--O 1.257 1.459 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.02 87.05 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.032 0.378 . . . . 0.0 111.229 176.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.2 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.422 -1.424 . . . . 0.0 110.795 176.021 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.54 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.6 79.37 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.474 2.559 . . . . 0.0 108.995 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.74 66.55 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.703 179.182 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.37 17.97 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -175.65 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.4 8.07 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.075 2.671 . . . . 0.0 113.962 179.795 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.477 -2.293 0 N-CA-C 118.906 2.323 . . . . 0.0 118.906 176.551 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.84 83.39 Favored Pre-proline 0 C--O 1.243 0.711 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.006 179.696 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.87 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.138 2.559 . . . . 0.0 110.911 178.218 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.13 92.77 Favored 'Trans proline' 0 C--O 1.263 1.725 0 C-N-CA 120.71 0.94 . . . . 0.0 113.398 -179.337 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.956 -1.715 . . . . 0.0 112.205 -177.446 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.44 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.532 -1.355 . . . . 0.0 112.087 178.672 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.339 2.018 . . . . 0.0 115.616 -177.621 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.506 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 172.049 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.97 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.439 1.018 . . . . 0.0 109.986 -177.579 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.13 1.519 . . . . 0.0 111.931 -177.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 177.509 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.48 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 112.311 -2.222 . . . . 0.0 110.761 177.408 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.6 61.04 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.324 2.869 . . . . 0.0 117.517 -179.518 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 177.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.26 34.61 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.588 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.34 37.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.04 -175.885 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.72 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.051 1.469 . . . . 0.0 109.969 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.21 29.61 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.813 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.415 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 -177.391 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 120.0 -1.882 . . . . 0.0 108.019 176.493 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 177.145 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.25 79.29 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.136 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 117.31 -1.756 . . . . 0.0 112.163 -179.447 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.3 70.66 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 122.483 1.135 . . . . 0.0 110.767 179.758 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.72 51.36 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 117.642 -1.17 . . . . 0.0 112.975 179.245 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.59 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 121.568 1.985 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.182 175.838 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.47 8.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.565 -176.878 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.572 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.7 143.0 26.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.217 1.484 . . . . 0.0 109.23 -176.946 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.433 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.51 34.61 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.791 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.942 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 114.68 -2.581 . . . . 0.0 105.722 174.999 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 127.463 2.977 . . . . 0.0 105.895 177.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.642 -1.171 . . . . 0.0 111.496 176.575 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.137 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.41 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.1 32.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.282 0 CA-C-O 113.412 -3.185 . . . . 0.0 105.525 -179.058 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 126.976 2.672 . . . . 0.0 108.891 178.336 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.433 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.48 Favored 'General case' 0 N--CA 1.512 2.659 1 O-C-N 130.494 4.871 . . . . 0.0 108.744 179.598 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.547 175.808 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.46 41.16 Favored 'General case' 0 N--CA 1.504 2.254 1 O-C-N 129.41 4.194 . . . . 0.0 108.082 -178.165 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.007 0.817 . . . . 0.0 112.585 -177.952 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.853 -2.339 . . . . 0.0 112.017 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.36 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.191 -1.568 . . . . 0.0 116.115 179.781 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 174.992 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 126.614 2.446 . . . . 0.0 106.036 176.167 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.592 3.058 . . . . 0.0 109.056 179.673 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.78 36.67 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.216 -1.794 . . . . 0.0 108.246 178.07 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.02 44.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.19 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.35 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.211 4.069 . . . . 0.0 103.567 174.007 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.67 3.106 . . . . 0.0 111.219 -177.885 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.51 37.76 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.306 174.684 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.46 39.16 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.581 2.187 . . . . 0.0 111.928 177.753 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.877 -177.518 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.47 47.49 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.339 -1.744 . . . . 0.0 109.857 -179.026 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 127.16 2.787 . . . . 0.0 110.375 175.77 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.44 79.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.396 -0.815 . . . . 0.0 110.732 176.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.81 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.362 1.065 . . . . 0.0 111.523 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.38 89.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.085 1.49 . . . . 0.0 109.291 178.509 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.94 83.78 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.05 87.07 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 117.989 0.359 . . . . 0.0 111.204 176.858 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.2 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.395 -1.441 . . . . 0.0 110.817 176.011 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.51 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.555 2.598 . . . . 0.0 109.003 179.47 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.72 66.72 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.75 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.42 17.94 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 -175.642 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.33 8.12 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.105 2.684 . . . . 0.0 113.982 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.44 90.12 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.897 2.319 . . . . 0.0 118.897 176.534 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.28 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.126 2.551 . . . . 0.0 110.935 178.222 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.17 92.75 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.716 0.944 . . . . 0.0 113.417 -179.383 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.981 -1.699 . . . . 0.0 112.19 -177.429 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.481 -1.387 . . . . 0.0 112.06 178.71 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.294 1.997 . . . . 0.0 115.669 -177.648 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.139 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.21 50.89 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.456 1.025 . . . . 0.0 109.979 -177.561 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.152 1.533 . . . . 0.0 111.913 -177.546 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.65 18.96 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.485 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.794 177.398 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.56 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.324 2.868 . . . . 0.0 117.535 -179.449 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.687 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.55 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.38 37.49 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.737 -1.125 . . . . 0.0 110.035 -175.9 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.7 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 125.054 1.471 . . . . 0.0 109.982 -177.75 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.13 30.11 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 -175.831 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.83 85.26 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -177.307 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.01 -1.877 . . . . 0.0 107.977 176.514 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.157 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.117 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.63 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.138 -179.49 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.32 70.49 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.419 1.104 . . . . 0.0 110.666 179.816 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.62 51.48 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.998 179.293 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.4 18.4 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.529 1.968 . . . . 0.0 111.184 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.183 175.812 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.086 2.116 . . . . 0.0 109.517 -176.866 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.74 143.05 26.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.24 1.495 . . . . 0.0 109.23 -176.92 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.16 10.64 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 179.453 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.797 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.73 52.21 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.955 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.73 -2.557 . . . . 0.0 105.695 175.063 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.81 46.39 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 127.348 2.905 . . . . 0.0 105.934 177.896 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.594 -1.193 . . . . 0.0 111.488 176.611 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.114 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.2 0.524 . . . . 0.0 109.866 178.384 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 139.74 31.8 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.259 0 CA-C-O 113.393 -3.194 . . . . 0.0 105.495 -179.448 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.968 2.668 . . . . 0.0 108.941 178.28 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.411 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.436 4.835 . . . . 0.0 108.792 179.564 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.22 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.417 -3.182 . . . . 0.0 105.543 175.808 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.48 41.27 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.349 4.156 . . . . 0.0 108.035 -178.142 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.46 170.75 8.4 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.73 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.033 0.833 . . . . 0.0 112.584 -177.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 15.02 30.16 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.992 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.48 80.31 Favored Glycine 0 C--N 1.296 -1.641 0 O-C-N 120.16 -1.588 . . . . 0.0 116.126 179.757 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.935 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.589 2.431 . . . . 0.0 105.993 176.157 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.629 3.081 . . . . 0.0 109.083 179.609 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.185 178.16 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.01 44.26 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 115.331 -2.271 . . . . 0.0 108.416 -179.193 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.15 44.27 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.229 4.081 . . . . 0.0 103.523 173.995 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.64 15.86 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 O-C-N 127.711 3.132 . . . . 0.0 111.208 -177.918 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.53 37.74 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 112.143 -2.299 . . . . 0.0 106.3 174.724 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.33 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.566 2.177 . . . . 0.0 111.953 177.713 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.11 59.14 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.894 -177.487 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.47 47.52 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.046 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.41 21.25 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 175.658 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.28 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 127.155 2.784 . . . . 0.0 110.425 175.722 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.36 79.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.409 -0.807 . . . . 0.0 110.71 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.46 86.67 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.336 1.055 . . . . 0.0 111.504 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.52 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.076 1.485 . . . . 0.0 109.272 178.527 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.93 83.69 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.08 87.37 Favored 'General case' 0 C--O 1.279 2.643 0 CA-C-N 117.967 0.348 . . . . 0.0 111.227 176.889 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.31 87.03 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.41 -1.432 . . . . 0.0 110.796 176.02 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.264 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.907 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.6 79.27 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.527 2.584 . . . . 0.0 109.022 179.445 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.74 66.46 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.762 179.178 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 -175.693 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.4 8.1 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 123.133 2.697 . . . . 0.0 113.97 179.808 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.309 0 N-CA-C 118.885 2.314 . . . . 0.0 118.885 176.552 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.05 179.662 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.575 0 C-N-CA 123.142 2.562 . . . . 0.0 110.894 178.213 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.67 Favored 'Trans proline' 0 C--O 1.261 1.66 0 O-C-N 122.873 0.933 . . . . 0.0 113.398 -179.35 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.977 -1.702 . . . . 0.0 112.23 -177.461 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.551 -1.343 . . . . 0.0 112.036 178.714 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 124.351 2.024 . . . . 0.0 115.658 -177.699 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 116.0 24.05 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.139 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.98 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 119.422 1.01 . . . . 0.0 109.972 -177.591 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.147 1.529 . . . . 0.0 111.876 -177.535 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.521 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.94 19.65 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.302 -2.227 . . . . 0.0 110.758 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.57 60.94 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 128.374 2.892 . . . . 0.0 117.505 -179.505 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.655 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.58 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.041 -175.884 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.01 36.72 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.074 1.484 . . . . 0.0 109.999 -177.765 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.16 29.71 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.803 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.85 85.22 Favored Glycine 0 CA--C 1.492 -1.344 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.303 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.028 -1.866 . . . . 0.0 108.024 176.478 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.54 11.68 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.117 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.24 79.23 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.162 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.223 -179.511 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.28 70.54 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.452 1.12 . . . . 0.0 110.715 179.73 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.66 51.52 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.914 179.353 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.39 18.49 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.579 1.99 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.138 -2.363 . . . . 0.0 106.184 175.815 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.05 2.094 . . . . 0.0 109.56 -176.856 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 143.03 26.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.186 1.47 . . . . 0.0 109.26 -176.911 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.395 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 179.483 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.75 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.67 52.11 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.656 -2.592 . . . . 0.0 105.731 175.002 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.37 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.461 2.976 . . . . 0.0 105.885 177.923 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.767 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.532 176.566 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.125 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 178.462 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.36 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.307 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.502 179.992 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.936 2.648 . . . . 0.0 108.93 178.294 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 173.368 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.63 1 O-C-N 130.479 4.862 . . . . 0.0 108.773 179.585 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.406 -3.187 . . . . 0.0 105.512 175.79 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.51 41.25 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.071 -178.179 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.72 8.4 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -6.97 49.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.023 0.827 . . . . 0.0 112.612 -177.964 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.758 -2.377 . . . . 0.0 111.989 179.962 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.52 80.33 Favored Glycine 0 C--N 1.297 -1.629 0 O-C-N 120.095 -1.628 . . . . 0.0 116.141 179.745 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.964 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.543 2.402 . . . . 0.0 105.998 176.159 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 127.552 3.033 . . . . 0.0 109.086 179.615 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.76 36.73 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 117.288 -1.765 . . . . 0.0 108.281 178.122 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.06 44.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.449 -179.191 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.203 4.065 . . . . 0.0 103.587 174.003 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.684 3.115 . . . . 0.0 111.274 -177.937 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.207 -2.27 . . . . 0.0 106.341 174.705 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 111.972 177.684 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.916 -177.522 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 175.734 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.29 77.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 127.232 2.832 . . . . 0.0 110.372 175.803 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.48 79.14 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.367 -0.833 . . . . 0.0 110.734 176.979 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.4 87.15 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 124.349 1.06 . . . . 0.0 111.526 -179.625 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.45 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.06 1.475 . . . . 0.0 109.273 178.532 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.84 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.802 -179.751 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.07 87.35 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.978 0.354 . . . . 0.0 111.227 176.841 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.28 86.94 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 120.401 -1.437 . . . . 0.0 110.795 176.024 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.928 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.6 79.23 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.492 2.568 . . . . 0.0 109.007 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.38 -41.83 66.28 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.734 179.137 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.64 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.34 8.07 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.522 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.244 0.791 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.05 136.97 79.83 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.189 2.593 . . . . 0.0 110.892 178.187 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.65 Favored 'Trans proline' 0 C--O 1.262 1.698 0 C-N-CA 120.672 0.915 . . . . 0.0 113.37 -179.344 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 119.984 -1.697 . . . . 0.0 112.204 -177.437 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.534 -1.354 . . . . 0.0 112.043 178.678 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.76 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.647 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.88 Favored 'General case' 0 C--O 1.296 3.514 0 N-CA-C 104.91 -2.256 . . . . 0.0 104.91 172.115 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.485 1.039 . . . . 0.0 109.962 -177.547 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.119 1.512 . . . . 0.0 111.913 -177.491 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.17 129.72 19.05 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.482 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.98 19.4 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.289 -2.232 . . . . 0.0 110.718 177.349 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.59 60.97 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.349 2.88 . . . . 0.0 117.451 -179.555 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.69 46.29 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.66 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.533 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.006 -175.864 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.98 36.73 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.091 1.495 . . . . 0.0 109.977 -177.732 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.19 29.77 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.81 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.29 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.372 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.004 -1.88 . . . . 0.0 107.988 176.514 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.151 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.144 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.169 -179.464 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.25 70.65 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.462 1.125 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.66 51.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.709 -1.139 . . . . 0.0 113.01 179.268 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.35 18.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.528 1.967 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.097 -2.382 . . . . 0.0 106.183 175.784 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.151 2.157 . . . . 0.0 109.545 -176.861 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -54.73 143.02 26.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.248 1.499 . . . . 0.0 109.288 -176.941 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.14 10.62 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 179.515 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.54 34.52 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.795 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.7 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.9 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.703 -2.57 . . . . 0.0 105.729 174.998 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.181 0 O-C-N 127.418 2.949 . . . . 0.0 105.873 177.929 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.781 0 CA-C-O 117.598 -1.191 . . . . 0.0 111.526 176.577 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.076 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 178.479 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.257 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.492 179.107 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.22 31.76 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.959 2.662 . . . . 0.0 108.935 178.313 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.378 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.684 1 O-C-N 130.442 4.839 . . . . 0.0 108.766 179.58 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.497 175.843 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.52 41.29 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.379 4.174 . . . . 0.0 108.057 -178.174 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.03 49.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.023 0.827 . . . . 0.0 112.621 -177.976 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.98 30.27 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.957 179.957 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.49 80.32 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.121 -1.612 . . . . 0.0 116.132 179.711 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.06 34.48 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.02 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.8 55.39 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.621 2.451 . . . . 0.0 106.011 176.166 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.621 3.075 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.74 36.65 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.192 178.143 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.378 -2.248 . . . . 0.0 108.437 -179.193 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.188 4.055 . . . . 0.0 103.527 174.001 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.632 3.082 . . . . 0.0 111.232 -177.937 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.76 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.284 174.729 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.42 39.76 Favored 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 122.502 2.135 . . . . 0.0 111.959 177.682 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.886 -177.504 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.89 -179.043 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.42 21.19 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.232 2.832 . . . . 0.0 110.334 175.776 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.349 -0.844 . . . . 0.0 110.755 176.993 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.39 86.99 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.323 1.049 . . . . 0.0 111.521 -179.651 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.4 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 125.098 1.499 . . . . 0.0 109.305 178.547 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.93 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 117.973 0.351 . . . . 0.0 111.226 176.884 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 87.01 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.383 -1.448 . . . . 0.0 110.819 176.014 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.869 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.58 79.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 125.552 2.596 . . . . 0.0 108.995 179.487 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.54 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 113.648 -1.614 . . . . 0.0 111.75 179.179 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.41 17.93 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -175.638 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.08 2.673 . . . . 0.0 113.929 179.833 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 5.39 90.09 Favored Glycine 0 CA--C 1.478 -2.267 0 N-CA-C 118.852 2.301 . . . . 0.0 118.852 176.511 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.79 124.84 83.22 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.829 -1.148 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.566 0 C-N-CA 123.126 2.551 . . . . 0.0 110.909 178.229 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.19 92.82 Favored 'Trans proline' 0 C--O 1.262 1.685 0 C-N-CA 120.713 0.942 . . . . 0.0 113.409 -179.351 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 120.001 -1.687 . . . . 0.0 112.232 -177.422 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.79 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.455 -1.403 . . . . 0.0 112.072 178.699 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.26 1.981 . . . . 0.0 115.626 -177.637 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.93 23.96 Favored 'General case' 0 C--O 1.296 3.51 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 172.082 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.417 1.008 . . . . 0.0 109.983 -177.591 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 125.14 1.525 . . . . 0.0 111.881 -177.512 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.5 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.51 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.744 177.35 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.6 60.94 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.352 2.882 . . . . 0.0 117.51 -179.515 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 177.73 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 174.539 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.32 37.51 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.02 -175.882 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.02 36.68 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.092 1.495 . . . . 0.0 109.937 -177.744 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.18 29.89 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.833 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.492 -1.378 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.315 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.57 16.99 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 119.967 -1.902 . . . . 0.0 107.981 176.487 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.094 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.24 79.29 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.161 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.154 -179.482 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.34 70.62 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.474 1.131 . . . . 0.0 110.737 179.724 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.695 -1.145 . . . . 0.0 113.016 179.262 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.3 18.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.532 1.969 . . . . 0.0 111.195 179.857 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.15 175.832 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.12 2.138 . . . . 0.0 109.497 -176.827 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 39.2 ttmt -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.199 1.476 . . . . 0.0 109.271 -176.92 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.19 10.6 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 179.42 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.765 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.95 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.74 -2.552 . . . . 0.0 105.739 174.985 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.79 46.42 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.398 2.936 . . . . 0.0 105.905 177.94 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.779 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.509 176.587 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.94 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.128 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.183 0.516 . . . . 0.0 109.815 178.486 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 132.13 41.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.294 0 CA-C-O 113.363 -3.208 . . . . 0.0 105.531 174.262 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 126.936 2.648 . . . . 0.0 108.886 178.31 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.379 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.26 49.42 Favored 'General case' 0 N--CA 1.512 2.629 1 O-C-N 130.469 4.855 . . . . 0.0 108.802 179.518 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 113.447 -3.168 . . . . 0.0 105.476 175.824 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.422 4.201 . . . . 0.0 108.064 -178.164 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.89 49.24 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.004 0.815 . . . . 0.0 112.581 -177.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 115.821 -2.352 . . . . 0.0 111.991 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.53 80.3 Favored Glycine 0 C--N 1.298 -1.579 0 O-C-N 120.133 -1.604 . . . . 0.0 116.108 179.76 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.969 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.607 2.442 . . . . 0.0 106.013 176.123 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 127.616 3.073 . . . . 0.0 109.077 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.6 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.253 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.27 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.39 -2.243 . . . . 0.0 108.414 -179.165 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.46 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.193 4.058 . . . . 0.0 103.625 173.951 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.697 3.123 . . . . 0.0 111.206 -177.876 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.332 174.676 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.45 39.17 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.591 2.194 . . . . 0.0 111.963 177.689 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.868 -177.493 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.345 -1.742 . . . . 0.0 109.878 -179.089 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.43 21.24 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.699 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.221 2.826 . . . . 0.0 110.374 175.779 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.292 -0.88 . . . . 0.0 110.773 176.957 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.3 1.04 . . . . 0.0 111.532 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.066 1.479 . . . . 0.0 109.352 178.484 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.96 83.8 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.08 87.32 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 118.048 0.385 . . . . 0.0 111.198 176.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.98 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 120.368 -1.458 . . . . 0.0 110.793 176.015 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.925 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.55 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 125.487 2.565 . . . . 0.0 109.013 179.454 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.68 66.71 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.746 179.155 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.46 17.94 Favored 'General case' 0 C--O 1.279 2.639 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.696 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.122 2.692 . . . . 0.0 113.973 179.792 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.42 90.1 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.54 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.021 179.708 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.57 Favored 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 123.191 2.594 . . . . 0.0 110.9 178.211 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.18 92.8 Favored 'Trans proline' 0 C--O 1.263 1.731 0 O-C-N 122.906 0.951 . . . . 0.0 113.394 -179.362 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.976 -1.702 . . . . 0.0 112.225 -177.445 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.84 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.477 -1.39 . . . . 0.0 112.014 178.694 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.378 2.037 . . . . 0.0 115.606 -177.621 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.04 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 172.119 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.68 130.27 51.13 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.454 1.024 . . . . 0.0 109.997 -177.508 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 125.23 1.581 . . . . 0.0 111.912 -177.486 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.543 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.06 19.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.774 177.399 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.59 60.85 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.319 2.866 . . . . 0.0 117.505 -179.502 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.675 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.796 -2.668 . . . . 0.0 103.796 174.564 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.728 -1.13 . . . . 0.0 110.023 -175.883 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.07 1.481 . . . . 0.0 109.938 -177.69 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.68 Favored 'General case' 0 C--O 1.266 1.931 0 N-CA-C 120.711 3.597 . . . . 0.0 120.711 -175.827 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 -177.367 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.54 17.03 Favored 'General case' 0 C--O 1.25 1.086 0 O-C-N 119.952 -1.91 . . . . 0.0 108.032 176.487 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.134 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.24 79.25 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.162 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.63 70.8 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.176 -179.48 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.52 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.498 1.142 . . . . 0.0 110.775 179.698 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.65 51.5 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.007 179.271 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.43 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 121.549 1.977 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.164 175.831 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.111 2.132 . . . . 0.0 109.535 -176.868 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -54.74 143.06 26.47 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 123.208 1.48 . . . . 0.0 109.272 -176.906 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.465 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 174.819 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.63 52.05 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.965 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.62 19.11 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.73 174.995 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.87 177.919 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.79 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.552 176.541 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.102 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.188 0.518 . . . . 0.0 109.85 178.4 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.583 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.84 35.98 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.243 0 CA-C-O 113.377 -3.202 . . . . 0.0 105.487 -179.871 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.25 31.74 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.933 2.645 . . . . 0.0 108.914 178.347 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.396 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.24 49.44 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.457 4.848 . . . . 0.0 108.797 179.54 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.13 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.479 175.869 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.47 41.17 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.429 4.206 . . . . 0.0 108.107 -178.201 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.78 8.37 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.92 49.51 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.012 0.82 . . . . 0.0 112.595 -177.939 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.021 179.952 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.38 Favored Glycine 0 C--N 1.298 -1.559 0 O-C-N 120.186 -1.571 . . . . 0.0 116.167 179.765 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.11 34.35 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 175.011 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.585 2.428 . . . . 0.0 106.053 176.127 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 127.629 3.081 . . . . 0.0 109.037 179.666 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.229 178.094 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.02 44.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 115.391 -2.242 . . . . 0.0 108.449 -179.189 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.24 44.5 Favored 'General case' 0 N--CA 1.499 2.016 1 O-C-N 129.142 4.026 . . . . 0.0 103.581 173.981 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.63 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.7 3.125 . . . . 0.0 111.218 -177.879 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.972 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.348 174.675 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.49 39.75 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.52 2.146 . . . . 0.0 111.969 177.73 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -177.478 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.5 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.361 -1.736 . . . . 0.0 109.88 -179.043 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.72 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.197 2.81 . . . . 0.0 110.374 175.754 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.4 79.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.407 -0.808 . . . . 0.0 110.747 176.963 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.46 86.95 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.298 1.039 . . . . 0.0 111.515 -179.609 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 125.104 1.502 . . . . 0.0 109.337 178.495 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.99 83.75 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.03 87.18 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 118.012 0.369 . . . . 0.0 111.264 176.851 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.343 -1.473 . . . . 0.0 110.792 175.983 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.42 77.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.58 79.32 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.512 2.577 . . . . 0.0 109.065 179.429 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.55 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.624 -1.625 . . . . 0.0 111.712 179.135 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.42 17.98 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.673 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.12 2.691 . . . . 0.0 113.929 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.13 Favored Glycine 0 CA--C 1.477 -2.289 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.513 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.055 179.648 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.91 79.44 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.174 2.583 . . . . 0.0 110.9 178.196 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.66 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 122.858 0.925 . . . . 0.0 113.405 -179.371 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.925 -1.734 . . . . 0.0 112.2 -177.461 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.76 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.515 -1.365 . . . . 0.0 112.011 178.689 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.75 34.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 124.292 1.996 . . . . 0.0 115.631 -177.661 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.5 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.093 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.454 1.025 . . . . 0.0 110.006 -177.615 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.139 1.524 . . . . 0.0 111.925 -177.527 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.69 18.9 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.518 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.01 19.3 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.777 177.417 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.51 61.06 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.371 2.891 . . . . 0.0 117.532 -179.477 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.68 46.3 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.686 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.555 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.44 37.51 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.009 -175.859 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.082 1.489 . . . . 0.0 109.916 -177.714 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.96 85.15 Favored Glycine 0 CA--C 1.492 -1.348 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.312 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.53 17.1 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 120.051 -1.852 . . . . 0.0 108.021 176.49 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.071 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 177.187 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.131 -179.457 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.33 70.55 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.495 1.141 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.31 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.969 179.307 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.39 18.53 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.536 1.971 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.36 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.11 -2.376 . . . . 0.0 106.18 175.823 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 126.064 2.103 . . . . 0.0 109.53 -176.841 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 0.1 OUTLIER -54.71 143.05 26.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.137 1.446 . . . . 0.0 109.287 -176.908 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 179.499 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 174.791 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.22 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.968 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.6 19.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.658 -2.591 . . . . 0.0 105.751 175.008 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.38 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 127.426 2.954 . . . . 0.0 105.888 177.902 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.515 176.59 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.606 -2.739 . . . . 0.0 103.606 175.135 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 178.499 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.07 32.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.329 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.526 -179.685 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 126.963 2.664 . . . . 0.0 108.952 178.326 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 162.99 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.386 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.2 49.47 Favored 'General case' 0 N--CA 1.511 2.618 1 O-C-N 130.451 4.844 . . . . 0.0 108.798 179.575 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.506 175.825 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.5 41.18 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.382 4.176 . . . . 0.0 108.057 -178.191 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.96 49.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.053 0.845 . . . . 0.0 112.606 -177.928 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.974 179.918 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.43 80.32 Favored Glycine 0 C--N 1.297 -1.601 0 O-C-N 120.136 -1.602 . . . . 0.0 116.143 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.01 34.47 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 174.972 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.77 55.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.595 2.435 . . . . 0.0 106.024 176.142 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 127.628 3.08 . . . . 0.0 109.076 179.656 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.6 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.226 178.153 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.05 44.22 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 115.365 -2.255 . . . . 0.0 108.475 -179.207 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.4 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.176 4.048 . . . . 0.0 103.59 174.0 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.67 3.106 . . . . 0.0 111.256 -177.911 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.06 144.51 37.82 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.309 174.701 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.5 39.27 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.516 2.144 . . . . 0.0 111.944 177.712 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.901 -177.511 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.53 47.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.897 -179.038 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.46 21.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.681 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.27 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.186 2.804 . . . . 0.0 110.401 175.734 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.04 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.341 -0.85 . . . . 0.0 110.72 176.999 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.49 87.06 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.301 1.04 . . . . 0.0 111.494 -179.594 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.069 1.481 . . . . 0.0 109.297 178.511 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.92 83.61 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.783 -179.764 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.33 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-N 117.965 0.348 . . . . 0.0 111.177 176.884 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.18 -37.4 87.34 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.347 -1.471 . . . . 0.0 110.814 176.043 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.58 79.49 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.515 2.579 . . . . 0.0 108.982 179.446 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.68 66.63 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.772 179.14 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.691 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 -175.677 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.149 2.704 . . . . 0.0 113.961 179.802 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.478 -2.224 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.779 -1.169 . . . . 0.0 111.003 179.712 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.164 2.576 . . . . 0.0 110.906 178.223 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.14 92.61 Favored 'Trans proline' 0 C--O 1.262 1.696 0 C-N-CA 120.695 0.93 . . . . 0.0 113.417 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.926 -1.734 . . . . 0.0 112.218 -177.44 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.46 28.99 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.494 -1.379 . . . . 0.0 112.01 178.778 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.342 2.02 . . . . 0.0 115.584 -177.596 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.296 3.546 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.98 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.482 1.037 . . . . 0.0 110.016 -177.568 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.81 72.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.129 1.518 . . . . 0.0 111.935 -177.529 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.73 19.02 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.522 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.11 19.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 112.227 -2.261 . . . . 0.0 110.745 177.359 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.62 60.86 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 128.387 2.898 . . . . 0.0 117.487 -179.515 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.664 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.54 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.36 37.52 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.028 -175.909 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.72 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.031 1.457 . . . . 0.0 109.931 -177.749 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.17 29.62 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.9 85.22 Favored Glycine 0 CA--C 1.491 -1.438 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 119.976 -1.897 . . . . 0.0 108.005 176.527 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 177.127 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.27 79.47 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.151 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.81 -29.6 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.273 -1.771 . . . . 0.0 112.191 -179.534 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.31 70.6 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.528 1.156 . . . . 0.0 110.749 179.753 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.67 51.49 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.264 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.59 1.995 . . . . 0.0 111.19 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.212 175.77 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.107 2.13 . . . . 0.0 109.5 -176.831 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.61 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.163 1.458 . . . . 0.0 109.286 -176.881 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.24 10.67 Favored 'General case' 0 C--O 1.255 1.387 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 179.486 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.53 34.49 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.77 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.72 52.21 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.93 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.64 19.13 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.75 -2.548 . . . . 0.0 105.695 175.034 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.39 Favored 'General case' 0 C--N 1.286 -2.174 0 O-C-N 127.391 2.932 . . . . 0.0 105.877 177.929 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.579 -1.201 . . . . 0.0 111.537 176.596 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.149 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.161 0.505 . . . . 0.0 109.833 178.442 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.0 35.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.273 2.321 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.501 179.436 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 127.009 2.693 . . . . 0.0 108.912 178.283 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 173.389 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.57 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.542 175.796 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.2 127.51 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.156 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.37 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.801 -1.095 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.95 49.58 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.092 0.87 . . . . 0.0 112.597 -177.979 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.006 179.955 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.42 80.36 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.129 -1.607 . . . . 0.0 116.169 179.777 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.06 34.42 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 174.994 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 126.648 2.467 . . . . 0.0 105.964 176.167 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 127.569 3.043 . . . . 0.0 109.066 179.595 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.24 178.096 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.03 44.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.332 -2.27 . . . . 0.0 108.394 -179.137 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.259 4.1 . . . . 0.0 103.53 174.031 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.68 15.75 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.657 3.098 . . . . 0.0 111.21 -177.912 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.54 37.84 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.56 2.173 . . . . 0.0 111.981 177.689 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.17 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.86 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.45 47.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.839 -179.021 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.72 160.4 21.3 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.668 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 O-C-N 127.167 2.792 . . . . 0.0 110.398 175.797 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.46 78.99 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.383 -0.823 . . . . 0.0 110.746 176.969 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.47 87.13 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.299 1.04 . . . . 0.0 111.512 -179.641 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.085 1.491 . . . . 0.0 109.339 178.5 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.02 83.81 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.746 -179.748 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.21 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.013 0.369 . . . . 0.0 111.268 176.869 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.424 -1.423 . . . . 0.0 110.819 176.01 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.55 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.93 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.48 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.572 2.606 . . . . 0.0 109.048 179.485 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.761 179.122 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.64 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.36 8.09 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 123.097 2.68 . . . . 0.0 113.99 179.814 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.279 0 N-CA-C 118.918 2.327 . . . . 0.0 118.918 176.553 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.35 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.97 79.89 Favored 'Trans proline' 0 C--O 1.259 1.559 0 C-N-CA 123.133 2.556 . . . . 0.0 110.901 178.204 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.18 92.86 Favored 'Trans proline' 0 C--O 1.263 1.725 0 O-C-N 122.891 0.943 . . . . 0.0 113.411 -179.397 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.895 -1.753 . . . . 0.0 112.197 -177.412 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.92 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.516 -1.365 . . . . 0.0 112.048 178.735 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.334 2.016 . . . . 0.0 115.608 -177.674 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 172.11 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.32 51.08 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.511 1.05 . . . . 0.0 110.003 -177.577 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.249 1.593 . . . . 0.0 111.895 -177.482 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.385 -2.079 . . . . 0.0 105.385 177.502 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.243 -2.253 . . . . 0.0 110.782 177.37 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.96 Favored Glycine 0 N--CA 1.433 -1.526 0 C-N-CA 128.342 2.877 . . . . 0.0 117.488 -179.522 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.67 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 174.52 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.051 -175.894 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.71 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.026 1.454 . . . . 0.0 109.956 -177.731 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.8 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.794 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.87 85.27 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.334 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.54 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.99 -1.888 . . . . 0.0 108.034 176.506 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.165 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.1 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.175 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.18 -179.473 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.61 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 122.474 1.13 . . . . 0.0 110.718 179.75 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.56 51.69 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.978 179.288 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.36 18.34 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 121.581 1.991 . . . . 0.0 111.2 179.895 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.157 175.824 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.145 2.153 . . . . 0.0 109.502 -176.833 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 24.9 ttpp -54.81 143.07 26.79 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 123.253 1.502 . . . . 0.0 109.283 -176.948 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 179.514 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.796 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.29 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.964 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.757 174.951 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.41 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.397 2.936 . . . . 0.0 105.941 177.932 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.645 -1.169 . . . . 0.0 111.477 176.648 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.91 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.11 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.169 0.509 . . . . 0.0 109.829 178.468 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 133.7 39.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.299 0 CA-C-O 113.379 -3.2 . . . . 0.0 105.524 174.365 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 126.987 2.679 . . . . 0.0 108.906 178.333 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 173.34 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.22 49.46 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.425 4.828 . . . . 0.0 108.78 179.574 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.456 175.849 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.54 41.29 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.379 4.174 . . . . 0.0 108.082 -178.201 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.71 8.41 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.99 49.79 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.069 0.856 . . . . 0.0 112.596 -177.95 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.991 179.927 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.118 -1.613 . . . . 0.0 116.169 179.786 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.44 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 174.977 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.677 2.486 . . . . 0.0 106.018 176.135 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 127.608 3.068 . . . . 0.0 109.017 179.699 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.8 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.266 -1.774 . . . . 0.0 108.261 178.085 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.418 -179.189 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.47 Favored 'General case' 0 N--CA 1.498 1.965 1 O-C-N 129.175 4.047 . . . . 0.0 103.578 174.014 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.748 3.155 . . . . 0.0 111.206 -177.886 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.162 -2.29 . . . . 0.0 106.374 174.629 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.35 Favored 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 122.537 2.158 . . . . 0.0 111.96 177.747 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.951 -177.559 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.46 47.56 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.34 -1.744 . . . . 0.0 109.854 -179.045 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.42 21.25 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.702 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 O-C-N 127.184 2.803 . . . . 0.0 110.368 175.829 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.385 -0.822 . . . . 0.0 110.744 176.995 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.94 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.329 1.052 . . . . 0.0 111.513 -179.65 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.108 1.505 . . . . 0.0 109.292 178.539 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.69 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 -179.741 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.99 87.03 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.001 0.364 . . . . 0.0 111.209 176.891 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 120.355 -1.466 . . . . 0.0 110.803 176.025 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.49 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.61 79.26 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.475 2.559 . . . . 0.0 109.019 179.476 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.43 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.745 179.161 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.93 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.686 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.086 2.676 . . . . 0.0 113.972 179.838 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.28 5.29 90.14 Favored Glycine 0 CA--C 1.478 -2.278 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.55 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.29 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.791 -1.163 . . . . 0.0 111.048 179.662 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.89 79.33 Favored 'Trans proline' 0 C--O 1.259 1.545 0 C-N-CA 123.097 2.531 . . . . 0.0 110.928 178.228 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.699 0 O-C-N 122.84 0.916 . . . . 0.0 113.431 -179.323 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.96 -1.712 . . . . 0.0 112.225 -177.444 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.48 28.92 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.472 -1.392 . . . . 0.0 112.03 178.719 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.295 1.998 . . . . 0.0 115.669 -177.726 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.95 23.98 Favored 'General case' 0 C--O 1.296 3.504 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.094 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.25 51.0 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.435 1.016 . . . . 0.0 110.032 -177.573 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.8 72.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 O-C-N 125.117 1.511 . . . . 0.0 111.932 -177.503 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.734 177.364 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.63 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.375 2.893 . . . . 0.0 117.536 -179.5 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.684 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 174.565 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.41 37.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.046 -175.884 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.96 36.8 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 125.054 1.471 . . . . 0.0 109.987 -177.759 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.16 -42.29 29.16 Favored 'General case' 0 C--O 1.266 1.93 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.838 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.9 85.26 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.287 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.6 17.02 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.993 -1.886 . . . . 0.0 107.978 176.506 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.137 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.22 79.38 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.21 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.61 70.78 Favored 'General case' 0 C--O 1.267 2.022 0 C-N-CA 117.309 -1.756 . . . . 0.0 112.18 -179.477 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.57 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.486 1.136 . . . . 0.0 110.701 179.809 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.967 179.294 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.37 18.62 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.563 1.983 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.066 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.163 175.801 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 126.077 2.11 . . . . 0.0 109.534 -176.868 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 27.3 ttpp -54.77 143.06 26.65 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.197 1.475 . . . . 0.0 109.221 -176.894 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.508 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.95 19.18 10.63 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 179.443 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.802 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.66 52.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.948 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.71 175.001 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.73 46.54 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.413 2.946 . . . . 0.0 105.88 177.951 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.581 -1.199 . . . . 0.0 111.545 176.529 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.96 28.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.154 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.215 0.531 . . . . 0.0 109.817 178.457 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 134.17 39.42 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.288 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.535 179.907 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.924 2.64 . . . . 0.0 108.901 178.294 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.0 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 173.366 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.17 49.51 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.463 4.852 . . . . 0.0 108.816 179.559 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.534 175.848 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.45 41.14 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.398 4.186 . . . . 0.0 108.081 -178.176 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.79 8.36 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.9 49.39 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.042 0.839 . . . . 0.0 112.573 -177.957 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.828 -2.349 . . . . 0.0 111.98 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.33 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.125 -1.61 . . . . 0.0 116.13 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.989 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.621 2.451 . . . . 0.0 106.003 176.155 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.554 3.034 . . . . 0.0 109.002 179.648 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.225 -1.79 . . . . 0.0 108.258 178.072 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.372 -2.252 . . . . 0.0 108.405 -179.151 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.18 44.34 Favored 'General case' 0 N--CA 1.498 1.972 1 O-C-N 129.169 4.043 . . . . 0.0 103.579 173.976 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.59 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.747 3.154 . . . . 0.0 111.215 -177.928 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.47 37.55 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.113 -2.312 . . . . 0.0 106.333 174.682 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 122.52 2.147 . . . . 0.0 111.968 177.725 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.53 47.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.873 -179.037 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.706 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.3 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.179 2.799 . . . . 0.0 110.347 175.753 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.48 78.94 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.685 177.04 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.16 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.301 1.041 . . . . 0.0 111.542 -179.616 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.45 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.042 1.464 . . . . 0.0 109.325 178.472 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.83 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.788 -179.78 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.06 87.24 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 118.003 0.365 . . . . 0.0 111.205 176.863 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 120.449 -1.407 . . . . 0.0 110.802 176.034 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.04 -39.4 77.23 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.64 79.12 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.51 2.576 . . . . 0.0 108.978 179.501 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.42 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.763 179.134 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.28 2.67 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.673 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.185 2.72 . . . . 0.0 113.957 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.34 90.15 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.859 2.304 . . . . 0.0 118.859 176.501 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.88 83.36 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.821 -1.152 . . . . 0.0 110.986 179.706 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.85 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.193 2.596 . . . . 0.0 110.878 178.18 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.31 -32.1 92.81 Favored 'Trans proline' 0 C--O 1.262 1.682 0 C-N-CA 120.67 0.914 . . . . 0.0 113.428 -179.356 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.952 -1.718 . . . . 0.0 112.18 -177.447 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.48 28.9 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.493 -1.38 . . . . 0.0 112.069 178.684 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.67 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.312 2.006 . . . . 0.0 115.652 -177.659 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.98 24.03 Favored 'General case' 0 C--O 1.295 3.497 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 172.095 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.441 1.019 . . . . 0.0 109.961 -177.533 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.168 1.542 . . . . 0.0 111.951 -177.537 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 177.53 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.96 19.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.785 177.374 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.55 61.18 Favored Glycine 0 N--CA 1.432 -1.574 0 C-N-CA 128.399 2.904 . . . . 0.0 117.453 -179.512 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.706 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.37 37.52 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.702 -1.142 . . . . 0.0 110.053 -175.907 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 125.094 1.496 . . . . 0.0 110.006 -177.726 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.28 29.35 Favored 'General case' 0 C--O 1.266 1.921 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.801 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.295 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.52 17.07 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.965 -1.903 . . . . 0.0 107.974 176.525 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.104 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.35 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.184 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.82 -29.7 70.87 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.341 -1.744 . . . . 0.0 112.151 -179.5 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.46 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.422 1.106 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.66 51.46 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 117.726 -1.13 . . . . 0.0 113.021 179.272 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.5 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.531 1.969 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.146 175.863 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.086 2.116 . . . . 0.0 109.551 -176.873 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -54.73 143.0 26.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.231 1.491 . . . . 0.0 109.269 -176.933 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.489 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.829 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.987 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.65 19.09 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 114.684 -2.579 . . . . 0.0 105.757 174.981 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.43 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.419 2.949 . . . . 0.0 105.892 177.917 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.787 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.498 176.593 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.112 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.181 0.515 . . . . 0.0 109.823 178.472 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.54 37.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.292 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.492 -178.024 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 127.027 2.705 . . . . 0.0 108.942 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 173.438 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.65 1 O-C-N 130.454 4.846 . . . . 0.0 108.787 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.533 175.818 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.5 41.2 Favored 'General case' 0 N--CA 1.504 2.23 1 O-C-N 129.387 4.179 . . . . 0.0 108.045 -178.135 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.027 0.83 . . . . 0.0 112.561 -177.917 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.3 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.994 179.971 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.52 80.3 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.196 -1.565 . . . . 0.0 116.141 179.803 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 174.96 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.599 2.437 . . . . 0.0 105.999 176.185 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.586 3.054 . . . . 0.0 109.041 179.67 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 117.205 -1.798 . . . . 0.0 108.172 178.17 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.07 44.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.425 -179.217 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.22 44.43 Favored 'General case' 0 N--CA 1.499 1.98 1 O-C-N 129.207 4.067 . . . . 0.0 103.561 174.032 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.66 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.669 3.105 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.55 37.85 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 112.157 -2.292 . . . . 0.0 106.338 174.697 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.43 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.584 2.189 . . . . 0.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.909 -177.524 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.46 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.879 -179.024 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.38 21.29 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 175.753 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.217 2.823 . . . . 0.0 110.362 175.81 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.14 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.342 -0.849 . . . . 0.0 110.75 176.941 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.354 1.062 . . . . 0.0 111.518 -179.655 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.39 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.123 1.514 . . . . 0.0 109.291 178.543 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.88 -37.9 83.76 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.775 -179.797 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.02 87.03 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 118.02 0.373 . . . . 0.0 111.217 176.894 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.39 87.29 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.446 -1.409 . . . . 0.0 110.802 176.025 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.51 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.12 -48.59 79.45 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.464 2.554 . . . . 0.0 109.006 179.494 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.71 66.68 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.701 179.148 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.48 17.96 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.662 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.29 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.149 2.704 . . . . 0.0 113.969 179.779 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.508 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.01 179.706 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.26 1.585 0 C-N-CA 123.187 2.591 . . . . 0.0 110.953 178.206 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.79 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.909 0.952 . . . . 0.0 113.409 -179.354 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 120.02 -1.675 . . . . 0.0 112.183 -177.415 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.78 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.567 -1.333 . . . . 0.0 112.011 178.715 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.301 2.0 . . . . 0.0 115.595 -177.635 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.97 24.03 Favored 'General case' 0 C--O 1.296 3.507 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.119 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.04 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 119.443 1.019 . . . . 0.0 109.983 -177.563 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.139 1.524 . . . . 0.0 111.927 -177.542 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.93 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.518 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.229 -2.259 . . . . 0.0 110.788 177.369 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.48 61.03 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.352 2.882 . . . . 0.0 117.536 -179.464 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.717 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.81 130.25 34.61 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.54 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.017 -175.875 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 125.076 1.485 . . . . 0.0 109.958 -177.725 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.705 3.594 . . . . 0.0 120.705 -175.856 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.88 85.2 Favored Glycine 0 CA--C 1.491 -1.411 0 N-CA-C 116.097 1.199 . . . . 0.0 116.097 -177.335 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.55 17.07 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.05 -1.853 . . . . 0.0 107.997 176.533 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.266 -1.773 . . . . 0.0 112.2 -179.501 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.38 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.443 1.116 . . . . 0.0 110.685 179.793 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.71 51.32 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.711 -1.138 . . . . 0.0 112.971 179.311 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.28 18.5 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 121.578 1.99 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.063 0 CA-C-O 115.139 -2.363 . . . . 0.0 106.174 175.828 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.07 2.106 . . . . 0.0 109.57 -176.879 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 63' ' ' LYS . 15.1 ptpt -54.67 143.01 26.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 123.168 1.461 . . . . 0.0 109.275 -176.949 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.23 10.67 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.441 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.51 34.55 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.771 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.952 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.65 19.12 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.745 174.999 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.394 2.934 . . . . 0.0 105.876 177.969 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.798 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.492 176.611 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.95 28.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.133 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 178.434 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.73 38.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.303 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.498 -179.032 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.11 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.977 2.673 . . . . 0.0 108.9 178.323 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.393 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.98 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.419 4.824 . . . . 0.0 108.805 179.563 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.513 175.826 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.237 1 O-C-N 129.372 4.17 . . . . 0.0 108.081 -178.159 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.92 49.41 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.002 0.814 . . . . 0.0 112.572 -177.921 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.03 30.14 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.837 -2.345 . . . . 0.0 112.026 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.53 80.37 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.156 -1.59 . . . . 0.0 116.158 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.05 34.47 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.952 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.575 2.422 . . . . 0.0 105.993 176.165 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.93 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 127.599 3.062 . . . . 0.0 109.027 179.654 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.8 36.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.22 178.106 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.337 -2.268 . . . . 0.0 108.442 -179.167 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.21 44.43 Favored 'General case' 0 N--CA 1.498 1.964 1 O-C-N 129.193 4.058 . . . . 0.0 103.557 173.995 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 O-C-N 127.742 3.151 . . . . 0.0 111.255 -177.904 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.185 -2.28 . . . . 0.0 106.286 174.705 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.45 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.514 2.143 . . . . 0.0 111.933 177.719 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.873 -177.478 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.52 47.52 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.844 -179.016 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 O-C-N 127.166 2.791 . . . . 0.0 110.387 175.772 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.337 -0.852 . . . . 0.0 110.747 176.938 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.44 86.98 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.281 1.033 . . . . 0.0 111.544 -179.633 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.016 1.448 . . . . 0.0 109.285 178.492 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.41 Favored 'General case' 0 C--O 1.278 2.578 0 CA-C-N 118.002 0.364 . . . . 0.0 111.196 176.889 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 120.424 -1.422 . . . . 0.0 110.814 175.996 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.231 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.59 79.32 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.517 2.579 . . . . 0.0 109.007 179.488 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.56 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.38 17.95 Favored 'General case' 0 C--O 1.279 2.605 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -175.66 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.13 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 123.083 2.674 . . . . 0.0 113.926 179.82 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.13 Favored Glycine 0 CA--C 1.478 -2.248 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.535 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.021 179.686 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.92 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.169 2.579 . . . . 0.0 110.929 178.164 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.11 92.6 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.853 0.923 . . . . 0.0 113.434 -179.35 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.815 0 O-C-N 119.993 -1.692 . . . . 0.0 112.205 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.46 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.526 -1.359 . . . . 0.0 112.047 178.671 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.74 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.328 2.014 . . . . 0.0 115.64 -177.633 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.88 23.85 Favored 'General case' 0 C--O 1.295 3.49 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.107 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.436 1.016 . . . . 0.0 109.945 -177.502 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.145 1.528 . . . . 0.0 111.911 -177.51 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.66 18.92 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.478 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.99 19.45 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.282 -2.235 . . . . 0.0 110.764 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.58 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.34 2.876 . . . . 0.0 117.481 -179.534 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.711 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.534 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.39 37.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.011 -175.909 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 139.99 36.79 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 125.052 1.47 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.19 29.54 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.681 3.585 . . . . 0.0 120.681 -175.835 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.86 85.23 Favored Glycine 0 CA--C 1.492 -1.403 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.349 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.996 -1.885 . . . . 0.0 107.987 176.488 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.145 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.29 -36.21 79.44 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.16 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.16 -179.466 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.55 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.487 1.137 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.7 51.44 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.994 179.3 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.29 18.34 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 121.556 1.98 . . . . 0.0 111.169 179.822 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.062 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.838 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 126.059 2.1 . . . . 0.0 109.485 -176.816 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 15.9 ptmt -54.71 143.03 26.45 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.183 1.468 . . . . 0.0 109.239 -176.93 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.1 10.63 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.453 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.829 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.998 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.721 -2.562 . . . . 0.0 105.714 175.005 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.946 . . . . 0.0 105.921 177.913 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.839 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.493 176.644 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.107 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.136 0.493 . . . . 0.0 109.856 178.464 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.06 37.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.274 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.487 -179.916 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 127.011 2.694 . . . . 0.0 108.914 178.336 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.396 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.45 4.843 . . . . 0.0 108.755 179.591 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.525 175.784 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.2 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.381 4.176 . . . . 0.0 108.058 -178.161 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.92 49.46 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.055 0.847 . . . . 0.0 112.59 -177.939 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.805 -2.358 . . . . 0.0 111.956 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.51 80.33 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.183 -1.573 . . . . 0.0 116.149 179.771 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.04 34.49 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 175.021 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.74 55.34 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.595 2.434 . . . . 0.0 106.034 176.117 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.42 141.98 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.611 3.069 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.207 -1.797 . . . . 0.0 108.239 178.123 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.02 44.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.419 -179.184 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.24 44.5 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.172 4.045 . . . . 0.0 103.549 174.015 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.145 0 O-C-N 127.712 3.132 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.7 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.146 -2.297 . . . . 0.0 106.335 174.709 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.552 2.168 . . . . 0.0 111.961 177.725 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.903 -177.524 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.814 -179.032 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.41 21.21 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.708 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 O-C-N 127.198 2.811 . . . . 0.0 110.385 175.738 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.46 79.0 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.367 -0.833 . . . . 0.0 110.727 177.012 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.01 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.303 1.041 . . . . 0.0 111.564 -179.671 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.094 1.496 . . . . 0.0 109.34 178.493 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.99 83.9 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.766 -179.8 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 117.989 0.359 . . . . 0.0 111.231 176.883 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.362 -1.461 . . . . 0.0 110.801 176.017 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.52 77.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.47 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.522 2.582 . . . . 0.0 109.022 179.439 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.64 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.748 179.163 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.43 17.91 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -175.667 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.51 -6.4 8.13 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 123.147 2.703 . . . . 0.0 113.936 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.326 0 N-CA-C 118.899 2.319 . . . . 0.0 118.899 176.554 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.88 83.25 Favored Pre-proline 0 C--O 1.242 0.704 0 C-N-CA 118.83 -1.148 . . . . 0.0 111.013 179.693 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.6 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.128 2.552 . . . . 0.0 110.952 178.153 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.261 1.67 0 C-N-CA 120.707 0.938 . . . . 0.0 113.392 -179.349 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.61 63.65 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 120.002 -1.686 . . . . 0.0 112.179 -177.387 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.78 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.463 -1.398 . . . . 0.0 112.058 178.669 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.78 34.77 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.323 2.011 . . . . 0.0 115.625 -177.651 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.92 23.88 Favored 'General case' 0 C--O 1.296 3.523 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 172.103 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.29 51.03 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.479 1.036 . . . . 0.0 110.016 -177.566 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 125.159 1.537 . . . . 0.0 111.927 -177.503 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.69 18.99 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.504 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.94 19.45 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.757 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 128.43 2.919 . . . . 0.0 117.459 -179.506 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 177.673 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.576 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.003 -175.898 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.94 36.81 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.077 1.486 . . . . 0.0 109.952 -177.739 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.22 29.61 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.833 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.491 -1.434 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 -177.357 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.987 -1.89 . . . . 0.0 107.979 176.516 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.145 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.175 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.6 70.78 Favored 'General case' 0 C--O 1.268 2.073 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.182 -179.484 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.489 1.138 . . . . 0.0 110.736 179.729 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 117.65 -1.167 . . . . 0.0 112.953 179.325 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.42 18.51 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 121.555 1.979 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.173 175.819 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.521 -176.859 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.469 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.78 143.05 26.69 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.199 1.476 . . . . 0.0 109.301 -176.946 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.16 10.65 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 179.483 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.51 34.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.832 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.983 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.666 -2.587 . . . . 0.0 105.714 175.054 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.7 46.5 Favored 'General case' 0 C--N 1.285 -2.231 0 O-C-N 127.455 2.972 . . . . 0.0 105.902 177.916 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.772 0 CA-C-O 117.617 -1.182 . . . . 0.0 111.549 176.564 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.94 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.16 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.119 0.485 . . . . 0.0 109.875 178.435 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.284 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.476 -179.292 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.978 2.674 . . . . 0.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.393 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.645 1 O-C-N 130.475 4.859 . . . . 0.0 108.761 179.583 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.389 -3.195 . . . . 0.0 105.506 175.814 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.49 41.19 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.372 4.17 . . . . 0.0 108.059 -178.167 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.76 8.37 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.87 49.23 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.054 0.846 . . . . 0.0 112.555 -177.937 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.03 30.13 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.774 -2.371 . . . . 0.0 111.968 179.972 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.39 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.109 -1.619 . . . . 0.0 116.092 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.959 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.76 55.35 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.611 2.445 . . . . 0.0 105.99 176.179 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.98 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 127.64 3.088 . . . . 0.0 109.033 179.651 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.25 178.147 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.03 44.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.333 -2.27 . . . . 0.0 108.463 -179.19 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.43 Favored 'General case' 0 N--CA 1.499 1.986 1 O-C-N 129.182 4.051 . . . . 0.0 103.567 173.973 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.206 0 O-C-N 127.691 3.119 . . . . 0.0 111.214 -177.883 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.46 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.335 174.673 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.4 39.19 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.564 2.176 . . . . 0.0 111.957 177.727 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.16 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.88 -177.496 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.52 47.5 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.836 -179.032 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.4 21.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.726 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.217 2.823 . . . . 0.0 110.327 175.805 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.428 -0.795 . . . . 0.0 110.769 176.988 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.47 86.76 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.292 1.037 . . . . 0.0 111.543 -179.633 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.42 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.1 1.5 . . . . 0.0 109.375 178.459 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -38.0 83.88 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.646 0 CA-C-N 118.01 0.368 . . . . 0.0 111.211 176.856 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 120.339 -1.476 . . . . 0.0 110.838 176.016 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.47 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.887 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.36 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.5 2.571 . . . . 0.0 109.036 179.439 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.75 179.114 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.31 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.667 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.102 2.683 . . . . 0.0 113.96 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.33 90.13 Favored Glycine 0 CA--C 1.478 -2.242 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.542 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.85 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.162 2.575 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.19 92.62 Favored 'Trans proline' 0 C--O 1.261 1.675 0 C-N-CA 120.678 0.918 . . . . 0.0 113.397 -179.326 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 120.007 -1.683 . . . . 0.0 112.188 -177.435 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.44 29.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.494 -1.379 . . . . 0.0 112.035 178.706 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 124.332 2.015 . . . . 0.0 115.627 -177.646 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.512 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 172.079 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.31 50.99 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.454 1.024 . . . . 0.0 109.989 -177.57 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 O-C-N 125.144 1.528 . . . . 0.0 111.881 -177.509 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 177.538 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.95 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.313 -2.221 . . . . 0.0 110.752 177.369 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.54 61.05 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.413 2.911 . . . . 0.0 117.504 -179.5 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.702 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.79 130.3 34.59 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.571 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.693 -1.146 . . . . 0.0 110.026 -175.925 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 125.084 1.49 . . . . 0.0 109.931 -177.746 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.4 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 120.729 3.603 . . . . 0.0 120.729 -175.817 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.88 85.23 Favored Glycine 0 CA--C 1.492 -1.401 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.307 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.994 -1.886 . . . . 0.0 107.984 176.532 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.076 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.23 79.42 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.181 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.005 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.154 -179.494 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.26 70.51 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.457 1.123 . . . . 0.0 110.703 179.772 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.72 51.4 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.025 179.293 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.54 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.525 1.966 . . . . 0.0 111.179 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.114 -2.374 . . . . 0.0 106.198 175.833 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 126.082 2.113 . . . . 0.0 109.532 -176.809 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 143.08 26.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.183 1.468 . . . . 0.0 109.28 -176.96 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.19 10.66 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 179.473 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.843 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.69 52.1 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.008 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.715 175.047 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.42 Favored 'General case' 0 C--N 1.285 -2.205 0 O-C-N 127.471 2.982 . . . . 0.0 105.885 177.931 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.494 176.602 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.08 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 175.127 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.178 0.513 . . . . 0.0 109.815 178.456 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.278 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.515 179.506 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 126.943 2.652 . . . . 0.0 108.909 178.302 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.0 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.667 173.365 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.654 1 O-C-N 130.461 4.85 . . . . 0.0 108.746 179.565 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 175.797 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.23 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.399 4.187 . . . . 0.0 108.068 -178.184 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.74 8.4 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.98 49.75 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.063 0.852 . . . . 0.0 112.585 -177.962 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 115.794 -2.362 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.48 80.36 Favored Glycine 0 C--N 1.298 -1.571 0 O-C-N 120.135 -1.603 . . . . 0.0 116.126 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.05 34.43 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 174.979 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.584 2.427 . . . . 0.0 106.031 176.158 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.568 3.043 . . . . 0.0 109.04 179.649 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.224 -1.79 . . . . 0.0 108.234 178.116 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 153.98 44.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.465 -179.182 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.41 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.241 4.088 . . . . 0.0 103.55 174.025 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.672 3.108 . . . . 0.0 111.231 -177.876 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.65 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.345 174.688 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.48 39.58 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 C-N-CA 122.6 2.2 . . . . 0.0 111.949 177.703 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.07 59.09 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.889 -177.481 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.15 148.53 47.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 117.387 -1.725 . . . . 0.0 109.89 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.45 21.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.717 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 127.174 2.796 . . . . 0.0 110.428 175.708 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.05 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.419 -0.801 . . . . 0.0 110.741 176.98 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.15 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.306 1.043 . . . . 0.0 111.562 -179.627 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.42 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.094 1.496 . . . . 0.0 109.331 178.478 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.75 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.975 0.352 . . . . 0.0 111.226 176.871 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.378 -1.451 . . . . 0.0 110.799 176.033 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.46 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.922 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.62 79.21 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 125.543 2.592 . . . . 0.0 108.994 179.514 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.71 66.46 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.763 179.149 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.4 17.93 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.014 2.228 . . . . 0.0 117.014 -175.677 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.44 8.1 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.064 2.665 . . . . 0.0 113.974 179.834 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.35 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.921 2.328 . . . . 0.0 118.921 176.542 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.814 -1.154 . . . . 0.0 111.032 179.692 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.33 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.148 2.565 . . . . 0.0 110.942 178.179 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.15 92.6 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.862 0.927 . . . . 0.0 113.439 -179.362 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.974 -1.704 . . . . 0.0 112.213 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.511 -1.368 . . . . 0.0 112.02 178.743 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.288 1.994 . . . . 0.0 115.616 -177.632 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.9 23.88 Favored 'General case' 0 C--O 1.296 3.526 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.097 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.481 1.037 . . . . 0.0 109.966 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.138 1.524 . . . . 0.0 111.914 -177.496 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.66 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 177.513 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.02 19.55 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.793 177.412 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.93 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.343 2.877 . . . . 0.0 117.522 -179.51 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.705 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.2 34.62 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.46 138.37 37.56 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.011 -175.891 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.01 36.76 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.112 1.508 . . . . 0.0 109.951 -177.731 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.23 29.83 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.808 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.83 85.32 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 116.108 1.203 . . . . 0.0 116.108 -177.32 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.056 -1.849 . . . . 0.0 107.983 176.522 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.55 11.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.125 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.27 79.33 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.135 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.56 70.74 Favored 'General case' 0 C--O 1.267 2.008 0 C-N-CA 117.311 -1.755 . . . . 0.0 112.161 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.32 70.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.454 1.121 . . . . 0.0 110.733 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.636 -1.173 . . . . 0.0 112.927 179.321 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.4 18.35 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 121.607 2.003 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.41 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.142 175.825 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.075 2.109 . . . . 0.0 109.522 -176.876 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.67 143.06 26.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.273 1.511 . . . . 0.0 109.206 -176.867 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.84 19.23 10.69 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.748 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.13 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.974 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.701 174.999 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.57 135.78 46.35 Favored 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.411 2.945 . . . . 0.0 105.863 177.926 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.82 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.493 176.574 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.99 28.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 175.095 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.202 0.525 . . . . 0.0 109.836 178.47 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.3 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.635 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.73 37.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.635 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.272 2.27 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.495 173.33 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 127.006 2.691 . . . . 0.0 108.908 178.286 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.359 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.441 4.838 . . . . 0.0 108.82 179.541 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.17 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.489 175.874 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.49 41.17 Favored 'General case' 0 N--CA 1.504 2.259 1 O-C-N 129.403 4.189 . . . . 0.0 108.086 -178.191 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.76 8.37 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.95 49.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.064 0.853 . . . . 0.0 112.626 -177.982 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.859 -2.336 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.47 80.3 Favored Glycine 0 C--N 1.297 -1.599 0 O-C-N 120.163 -1.586 . . . . 0.0 116.109 179.75 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.03 34.46 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.94 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.605 2.441 . . . . 0.0 106.046 176.116 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 127.636 3.085 . . . . 0.0 109.014 179.708 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.236 178.098 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.447 -179.208 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.218 4.074 . . . . 0.0 103.572 174.003 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 O-C-N 127.701 3.125 . . . . 0.0 111.199 -177.854 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.202 -2.272 . . . . 0.0 106.289 174.728 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.531 2.154 . . . . 0.0 111.932 177.702 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.1 59.15 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.889 -177.455 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.51 47.53 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.332 -1.747 . . . . 0.0 109.887 -179.079 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.44 21.21 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 175.717 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.192 2.807 . . . . 0.0 110.37 175.746 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.382 -0.824 . . . . 0.0 110.749 176.984 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.87 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.286 1.035 . . . . 0.0 111.574 -179.668 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.037 1.46 . . . . 0.0 109.308 178.479 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.92 83.75 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.95 86.87 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.997 0.362 . . . . 0.0 111.187 176.883 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.23 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.412 -1.43 . . . . 0.0 110.773 176.029 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.53 77.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.951 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.58 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.481 2.562 . . . . 0.0 109.039 179.458 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.74 66.63 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.777 179.091 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.651 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -175.635 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 123.139 2.7 . . . . 0.0 113.965 179.811 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.501 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.81 83.4 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.802 -1.159 . . . . 0.0 111.033 179.675 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.183 2.589 . . . . 0.0 110.916 178.2 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.09 92.67 Favored 'Trans proline' 0 C--O 1.261 1.674 0 O-C-N 122.907 0.951 . . . . 0.0 113.438 -179.34 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 119.96 -1.713 . . . . 0.0 112.22 -177.485 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.45 28.86 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.553 -1.342 . . . . 0.0 112.04 178.715 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.293 1.996 . . . . 0.0 115.668 -177.667 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.97 23.98 Favored 'General case' 0 C--O 1.295 3.484 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.122 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 119.41 1.004 . . . . 0.0 109.991 -177.545 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.133 1.521 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.567 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.753 177.355 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.52 60.95 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 128.399 2.904 . . . . 0.0 117.526 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.7 46.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.698 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.26 1.605 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.587 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.016 -175.858 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.92 140.01 36.78 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.745 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.23 29.23 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.803 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.92 85.17 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.148 1.219 . . . . 0.0 116.148 -177.379 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.58 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.979 -1.895 . . . . 0.0 108.015 176.513 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.131 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.103 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.053 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.145 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.54 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.503 1.144 . . . . 0.0 110.76 179.73 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.67 51.46 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 112.967 179.309 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.55 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 121.521 1.964 . . . . 0.0 111.187 179.857 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.37 30.22 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-O 115.089 -2.386 . . . . 0.0 106.192 175.851 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.35 169.53 8.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.152 2.157 . . . . 0.0 109.528 -176.844 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 22.6 pttp -54.79 143.08 26.62 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.184 1.469 . . . . 0.0 109.285 -176.938 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.16 10.66 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.813 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.72 52.2 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.669 175.989 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.61 19.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.659 -2.591 . . . . 0.0 105.711 175.027 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.462 2.976 . . . . 0.0 105.904 177.924 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.507 176.573 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.132 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.164 0.507 . . . . 0.0 109.836 178.421 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.271 0 CA-C-O 113.356 -3.211 . . . . 0.0 105.492 179.436 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.993 2.683 . . . . 0.0 108.894 178.346 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 173.396 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.652 1 O-C-N 130.444 4.84 . . . . 0.0 108.777 179.569 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.51 175.824 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.396 4.185 . . . . 0.0 108.01 -178.156 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.72 8.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.64 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.026 0.829 . . . . 0.0 112.62 -177.954 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.814 -2.354 . . . . 0.0 111.989 179.952 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.53 80.36 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.09 -1.631 . . . . 0.0 116.122 179.761 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.02 34.49 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.997 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.612 2.445 . . . . 0.0 106.037 176.144 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.613 3.07 . . . . 0.0 109.036 179.671 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.79 36.63 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.217 -1.793 . . . . 0.0 108.241 178.136 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.31 -2.281 . . . . 0.0 108.481 -179.164 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.219 4.075 . . . . 0.0 103.573 173.999 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.153 0 O-C-N 127.736 3.147 . . . . 0.0 111.231 -177.929 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.49 37.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.314 174.707 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.5 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 122.52 2.147 . . . . 0.0 111.936 177.746 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.16 59.12 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.899 -177.523 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.6 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 117.389 -1.724 . . . . 0.0 109.852 -179.032 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.722 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.28 -37.27 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.226 2.829 . . . . 0.0 110.424 175.735 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.42 79.21 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.321 -0.862 . . . . 0.0 110.756 176.983 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.5 87.04 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.281 1.032 . . . . 0.0 111.52 -179.661 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.43 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.044 1.465 . . . . 0.0 109.309 178.511 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.98 83.72 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.13 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.028 0.376 . . . . 0.0 111.213 176.875 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.472 -1.392 . . . . 0.0 110.816 175.999 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.51 77.64 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.932 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.59 79.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.484 2.564 . . . . 0.0 108.992 179.489 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.76 66.37 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.711 -1.586 . . . . 0.0 111.772 179.102 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.46 17.93 Favored 'General case' 0 C--O 1.28 2.676 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.666 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.39 8.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 123.081 2.673 . . . . 0.0 113.939 179.801 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.31 90.14 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.518 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.41 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.029 179.683 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.99 80.01 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.164 2.576 . . . . 0.0 110.96 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.14 92.78 Favored 'Trans proline' 0 C--O 1.262 1.703 0 O-C-N 122.865 0.929 . . . . 0.0 113.439 -179.334 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.915 -1.741 . . . . 0.0 112.219 -177.43 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.474 -1.391 . . . . 0.0 112.039 178.671 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.344 2.021 . . . . 0.0 115.626 -177.676 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.96 23.96 Favored 'General case' 0 C--O 1.296 3.52 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.113 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.24 51.02 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.471 1.032 . . . . 0.0 109.931 -177.495 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 125.168 1.543 . . . . 0.0 111.892 -177.518 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 177.554 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.79 177.388 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.61 61.17 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 128.365 2.888 . . . . 0.0 117.488 -179.525 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.677 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.23 34.61 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 174.562 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.041 -175.868 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 125.029 1.456 . . . . 0.0 109.938 -177.691 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.27 29.57 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.819 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.85 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.119 1.207 . . . . 0.0 116.119 -177.353 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.53 17.08 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.053 -1.851 . . . . 0.0 107.993 176.48 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.15 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 117.344 -1.742 . . . . 0.0 112.176 -179.482 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.29 70.52 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.475 1.131 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.68 51.47 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.01 179.226 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.38 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 121.55 1.977 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.208 175.79 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.034 2.084 . . . . 0.0 109.528 -176.846 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.574 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 21.1 pttp -54.78 143.05 26.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.195 1.474 . . . . 0.0 109.268 -176.889 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.45 34.68 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.838 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.12 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.938 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.72 175.034 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.8 46.39 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 127.422 2.951 . . . . 0.0 105.888 177.927 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.516 176.609 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.155 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.496 . . . . 0.0 109.842 178.421 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.14 34.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.254 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.502 -179.573 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.922 2.639 . . . . 0.0 108.946 178.268 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.673 173.404 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.642 1 O-C-N 130.473 4.858 . . . . 0.0 108.82 179.586 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.496 175.834 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.25 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.39 4.181 . . . . 0.0 108.029 -178.166 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.832 -1.08 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.53 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.054 0.846 . . . . 0.0 112.607 -177.969 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.001 179.95 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.51 80.28 Favored Glycine 0 C--N 1.298 -1.545 0 O-C-N 120.08 -1.637 . . . . 0.0 116.169 179.756 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.984 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.623 2.452 . . . . 0.0 105.989 176.185 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.02 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.607 3.067 . . . . 0.0 109.059 179.647 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.8 36.62 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 117.275 -1.77 . . . . 0.0 108.196 178.128 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.0 44.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.475 -179.225 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.156 4.035 . . . . 0.0 103.565 174.037 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.64 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.747 3.155 . . . . 0.0 111.193 -177.888 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.61 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.099 -2.319 . . . . 0.0 106.345 174.664 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.29 Favored 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 122.584 2.19 . . . . 0.0 111.934 177.699 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.913 -177.522 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.48 47.57 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.319 -1.752 . . . . 0.0 109.88 -179.049 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.4 21.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.69 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.164 2.79 . . . . 0.0 110.358 175.8 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.46 79.12 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.343 -0.848 . . . . 0.0 110.756 177.008 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.12 Favored 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.274 1.03 . . . . 0.0 111.501 -179.653 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 125.1 1.5 . . . . 0.0 109.333 178.501 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.98 83.94 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.797 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.07 87.28 Favored 'General case' 0 C--O 1.279 2.62 0 CA-C-N 117.973 0.352 . . . . 0.0 111.243 176.884 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.01 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 120.416 -1.427 . . . . 0.0 110.756 176.006 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.43 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.211 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.61 79.24 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.552 2.596 . . . . 0.0 109.028 179.456 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.74 66.39 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.734 179.124 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.36 17.95 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.645 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.097 2.68 . . . . 0.0 113.96 179.802 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 118.892 2.317 . . . . 0.0 118.892 176.513 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.006 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.127 2.551 . . . . 0.0 110.921 178.194 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.63 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.886 0.94 . . . . 0.0 113.44 -179.35 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.922 -1.736 . . . . 0.0 112.226 -177.471 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.5 28.88 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.515 -1.366 . . . . 0.0 112.07 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.287 1.994 . . . . 0.0 115.664 -177.656 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.03 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 172.092 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.21 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.427 1.012 . . . . 0.0 110.016 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.165 1.54 . . . . 0.0 111.925 -177.46 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.03 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.496 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.04 19.22 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.778 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.66 60.96 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.311 2.863 . . . . 0.0 117.517 -179.511 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.35 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.701 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 174.513 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.45 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.019 -175.857 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.035 1.459 . . . . 0.0 109.977 -177.724 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.82 Favored 'General case' 0 C--O 1.266 1.935 0 N-CA-C 120.7 3.592 . . . . 0.0 120.7 -175.799 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.84 85.31 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.61 16.96 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.035 -1.862 . . . . 0.0 108.009 176.506 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.58 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.128 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.21 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.269 2.082 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.143 -179.481 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.26 70.66 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.498 1.142 . . . . 0.0 110.732 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.64 51.56 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.992 179.255 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.36 18.27 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.589 1.995 . . . . 0.0 111.211 179.882 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.164 175.815 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.037 2.086 . . . . 0.0 109.51 -176.81 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.522 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 20.2 ttpp -54.77 143.07 26.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 123.182 1.468 . . . . 0.0 109.283 -176.936 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 179.462 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.794 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.15 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.0 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.63 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.72 -2.562 . . . . 0.0 105.707 175.006 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.83 46.27 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.44 2.962 . . . . 0.0 105.909 177.92 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.541 176.574 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.128 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.209 0.528 . . . . 0.0 109.827 178.455 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.98 40.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.461 179.525 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 126.979 2.674 . . . . 0.0 108.906 178.32 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.04 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.28 0 N-CA-C 105.628 -1.989 . . . . 0.0 105.628 173.384 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.19 49.47 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.467 4.854 . . . . 0.0 108.786 179.57 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.17 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.492 175.858 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.22 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.424 4.203 . . . . 0.0 108.055 -178.165 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.95 49.6 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 124.097 0.873 . . . . 0.0 112.588 -177.926 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.825 -2.35 . . . . 0.0 111.981 179.962 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.5 80.3 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.089 -1.632 . . . . 0.0 116.14 179.755 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.983 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.585 2.428 . . . . 0.0 106.048 176.187 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.05 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.567 3.042 . . . . 0.0 109.085 179.692 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.81 36.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.269 178.139 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.01 44.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.428 -179.159 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.24 44.51 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.225 4.078 . . . . 0.0 103.578 173.972 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.719 3.137 . . . . 0.0 111.182 -177.87 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.355 174.663 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.38 39.2 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 C-N-CA 122.564 2.176 . . . . 0.0 111.921 177.699 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.96 -8.14 59.17 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.852 -177.44 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.47 47.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.89 -179.065 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.4 21.29 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 O-C-N 127.136 2.772 . . . . 0.0 110.373 175.751 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.4 79.29 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.378 -0.826 . . . . 0.0 110.727 176.96 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.51 86.64 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 124.367 1.067 . . . . 0.0 111.509 -179.652 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.42 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.119 1.512 . . . . 0.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.93 83.59 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.733 -179.739 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.02 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.984 0.356 . . . . 0.0 111.243 176.888 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.395 -1.441 . . . . 0.0 110.819 175.984 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.913 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.64 79.17 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 125.503 2.573 . . . . 0.0 108.994 179.511 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.69 66.48 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.776 179.103 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -175.65 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 123.133 2.697 . . . . 0.0 113.949 179.828 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.35 90.13 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.879 2.312 . . . . 0.0 118.879 176.51 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.83 83.31 Favored Pre-proline 0 C--O 1.243 0.726 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.988 179.726 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.94 79.5 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.187 2.592 . . . . 0.0 110.902 178.189 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.19 92.86 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 122.841 0.916 . . . . 0.0 113.465 -179.376 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 119.93 -1.731 . . . . 0.0 112.213 -177.465 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.43 28.9 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.527 -1.358 . . . . 0.0 112.08 178.686 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 124.286 1.993 . . . . 0.0 115.636 -177.64 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.91 23.89 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.3 50.99 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.464 1.029 . . . . 0.0 109.994 -177.572 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.181 1.55 . . . . 0.0 111.871 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.69 18.99 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 177.457 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.29 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.768 177.38 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.62 61.01 Favored Glycine 0 N--CA 1.433 -1.528 0 C-N-CA 128.339 2.876 . . . . 0.0 117.52 -179.448 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.71 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.3 34.59 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.608 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.078 -175.956 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.74 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.031 1.457 . . . . 0.0 109.945 -177.691 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.3 29.13 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.725 3.602 . . . . 0.0 120.725 -175.823 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.81 -8.89 85.28 Favored Glycine 0 CA--C 1.491 -1.412 0 N-CA-C 116.099 1.199 . . . . 0.0 116.099 -177.315 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.55 17.02 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 120.007 -1.878 . . . . 0.0 107.991 176.547 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.083 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.27 79.36 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.174 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.316 -1.753 . . . . 0.0 112.164 -179.486 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.67 -39.24 70.66 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.478 1.132 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.004 179.269 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.37 18.48 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 121.566 1.984 . . . . 0.0 111.208 179.901 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.39 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.045 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.182 175.827 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.122 2.139 . . . . 0.0 109.489 -176.821 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.8 143.06 26.74 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 123.215 1.483 . . . . 0.0 109.287 -176.917 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.494 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.788 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.67 52.11 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.969 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.677 -2.582 . . . . 0.0 105.715 175.027 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.75 46.42 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.445 2.966 . . . . 0.0 105.88 177.909 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.87 30.94 Favored 'General case' 0 C--O 1.281 2.761 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.494 176.586 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.88 28.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.142 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.213 0.53 . . . . 0.0 109.824 178.466 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.04 39.58 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.291 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.527 -177.126 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 126.972 2.67 . . . . 0.0 108.952 178.32 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.413 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.461 4.851 . . . . 0.0 108.77 179.593 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.51 41.29 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.405 4.19 . . . . 0.0 108.045 -178.177 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.92 49.39 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.001 0.813 . . . . 0.0 112.606 -177.945 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.96 30.34 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.787 -2.365 . . . . 0.0 111.958 179.981 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.5 80.36 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.123 -1.611 . . . . 0.0 116.101 179.725 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.03 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 174.994 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.78 55.37 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.613 2.445 . . . . 0.0 106.032 176.134 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.603 3.064 . . . . 0.0 109.014 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.221 178.091 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.14 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.391 -179.18 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.0 1 O-C-N 129.211 4.07 . . . . 0.0 103.596 173.978 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 O-C-N 127.717 3.136 . . . . 0.0 111.222 -177.912 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.297 174.702 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.51 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 122.562 2.175 . . . . 0.0 111.947 177.699 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.09 59.09 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.867 -177.509 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.45 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.43 21.28 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.708 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.32 -37.25 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.167 2.792 . . . . 0.0 110.354 175.765 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.348 -0.845 . . . . 0.0 110.722 176.98 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.367 1.067 . . . . 0.0 111.518 -179.636 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.043 1.465 . . . . 0.0 109.279 178.534 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.94 83.7 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.761 -179.773 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.08 87.19 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 118.014 0.37 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.401 0 O-C-N 120.375 -1.453 . . . . 0.0 110.792 175.988 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.47 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.62 79.26 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.548 2.594 . . . . 0.0 109.006 179.493 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.71 66.52 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.73 179.201 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.43 17.94 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.676 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.151 2.705 . . . . 0.0 113.911 179.858 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.856 2.302 . . . . 0.0 118.856 176.535 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.89 83.21 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.007 179.718 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.87 79.23 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.116 2.544 . . . . 0.0 110.937 178.208 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.25 92.8 Favored 'Trans proline' 0 C--O 1.261 1.667 0 O-C-N 122.868 0.931 . . . . 0.0 113.452 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.93 -1.731 . . . . 0.0 112.182 -177.43 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.49 28.9 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.518 -1.364 . . . . 0.0 112.022 178.714 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.341 2.02 . . . . 0.0 115.627 -177.662 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.93 23.95 Favored 'General case' 0 C--O 1.295 3.472 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.135 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.451 1.023 . . . . 0.0 109.991 -177.605 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.139 1.524 . . . . 0.0 111.888 -177.491 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.69 18.95 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.496 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.0 19.5 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.185 -2.279 . . . . 0.0 110.764 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.371 2.891 . . . . 0.0 117.513 -179.464 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.652 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.57 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.555 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.032 -175.904 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.11 1.506 . . . . 0.0 109.957 -177.708 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.59 Favored 'General case' 0 C--O 1.265 1.909 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.841 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.96 85.14 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 116.133 1.213 . . . . 0.0 116.133 -177.367 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.52 17.11 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 119.994 -1.886 . . . . 0.0 107.944 176.504 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.65 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 177.128 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.18 79.26 Favored 'General case' 0 C--O 1.202 -1.433 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.182 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.67 70.82 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.157 -179.489 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.31 70.46 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.43 1.109 . . . . 0.0 110.71 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.67 51.48 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 117.637 -1.173 . . . . 0.0 112.978 179.282 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.33 18.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.574 1.988 . . . . 0.0 111.223 179.867 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.39 30.25 Favored 'Isoleucine or valine' 0 C--O 1.268 2.07 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.136 175.88 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.063 2.102 . . . . 0.0 109.552 -176.901 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 9.0 ptmm? -54.69 143.05 26.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.244 1.497 . . . . 0.0 109.279 -176.913 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.469 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.53 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.766 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.919 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.76 -2.543 . . . . 0.0 105.694 174.988 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.397 2.936 . . . . 0.0 105.913 177.909 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.99 115.74 30.72 Favored 'General case' 0 C--O 1.283 2.834 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.555 176.568 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 175.142 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.214 0.531 . . . . 0.0 109.806 178.422 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.02 35.74 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -107.31 122.09 45.86 Favored 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.488 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -63.87 -40.08 95.7 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 125.793 1.933 . . . . 0.0 109.83 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 53.94 179.7 0.03 OUTLIER 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.802 -1.544 . . . . 0.0 108.814 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.61 -175.27 45.11 Favored Glycine 0 C--O 1.243 0.676 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.014 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.415 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.414 179.202 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.995 2.684 . . . . 0.0 108.923 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.681 173.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.42 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.523 4.889 . . . . 0.0 108.807 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.466 -3.159 . . . . 0.0 105.484 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.24 Favored 'General case' 0 N--CA 1.504 2.247 1 O-C-N 129.335 4.147 . . . . 0.0 108.085 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.775 -1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.51 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.106 0.879 . . . . 0.0 112.57 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.048 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.46 80.36 Favored Glycine 0 C--N 1.298 -1.532 0 O-C-N 120.068 -1.645 . . . . 0.0 116.115 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.634 2.459 . . . . 0.0 106.052 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.648 3.092 . . . . 0.0 109.033 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.7 36.77 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.219 -1.792 . . . . 0.0 108.208 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.03 44.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.427 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.235 4.084 . . . . 0.0 103.558 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.688 3.118 . . . . 0.0 111.237 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.4 38.93 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 122.549 2.166 . . . . 0.0 111.973 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.18 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.934 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.354 -1.738 . . . . 0.0 109.911 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.45 21.2 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.33 -37.21 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.218 2.824 . . . . 0.0 110.344 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.4 79.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.54 86.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 124.325 1.05 . . . . 0.0 111.539 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.25 -46.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.077 1.486 . . . . 0.0 109.305 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.98 83.85 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.763 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.03 87.17 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 117.985 0.357 . . . . 0.0 111.214 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 120.388 -1.445 . . . . 0.0 110.785 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.63 79.11 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.495 2.569 . . . . 0.0 109.016 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.71 66.36 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.661 -1.609 . . . . 0.0 111.772 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.49 17.93 Favored 'General case' 0 C--O 1.279 2.631 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 123.108 2.685 . . . . 0.0 113.978 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.288 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.38 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.853 -1.139 . . . . 0.0 111.007 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.73 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.14 2.56 . . . . 0.0 110.939 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.66 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.858 0.925 . . . . 0.0 113.407 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.51 28.87 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.453 -1.404 . . . . 0.0 112.079 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 124.292 1.996 . . . . 0.0 115.606 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.99 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.422 1.01 . . . . 0.0 109.936 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.098 1.499 . . . . 0.0 111.906 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.67 18.9 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.766 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.57 60.92 Favored Glycine 0 N--CA 1.433 -1.556 0 C-N-CA 128.386 2.898 . . . . 0.0 117.514 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.37 37.43 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.688 -1.149 . . . . 0.0 110.048 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.04 36.68 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.117 1.51 . . . . 0.0 109.953 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.14 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.94 85.15 Favored Glycine 0 CA--C 1.493 -1.337 0 N-CA-C 116.093 1.197 . . . . 0.0 116.093 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.51 17.12 Favored 'General case' 0 C--O 1.251 1.136 0 O-C-N 120.051 -1.853 . . . . 0.0 108.001 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.25 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.362 -1.735 . . . . 0.0 112.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.3 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.469 1.128 . . . . 0.0 110.721 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.77 51.27 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.27 18.6 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.538 1.972 . . . . 0.0 111.208 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.38 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.057 0 CA-C-O 115.154 -2.355 . . . . 0.0 106.209 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.044 2.09 . . . . 0.0 109.521 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' B' ' 63' ' ' LYS . 13.4 ptmm? -54.72 143.04 26.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.18 1.467 . . . . 0.0 109.245 -176.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.15 10.64 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.28 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.64 19.12 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.46 Favored 'General case' 0 C--N 1.285 -2.203 0 O-C-N 127.456 2.973 . . . . 0.0 105.882 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.854 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.53 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.212 0.53 . . . . 0.0 109.807 178.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.54 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.11 36.94 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -121.15 118.3 29.33 Favored 'General case' 0 C--O 1.271 2.214 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.505 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -63.99 -39.14 93.44 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 125.798 1.936 . . . . 0.0 109.802 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 89.65 -0.69 0.3 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.85 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.98 -130.7 40.58 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 114.618 -1.174 . . . . 0.0 115.102 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 CA-C-O 116.35 -2.361 . . . . 0.0 108.38 179.304 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.941 2.651 . . . . 0.0 108.883 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 N-CA-C 105.611 -1.996 . . . . 0.0 105.611 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.47 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 130.445 4.84 . . . . 0.0 108.74 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.472 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.242 1 O-C-N 129.366 4.166 . . . . 0.0 108.098 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.96 49.67 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.006 0.816 . . . . 0.0 112.608 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.18 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.819 -2.352 . . . . 0.0 111.993 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.5 80.29 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.098 -1.626 . . . . 0.0 116.133 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.1 34.43 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.602 2.439 . . . . 0.0 106.026 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.02 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 127.555 3.035 . . . . 0.0 109.072 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.53 139.76 36.75 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.2 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.364 -2.255 . . . . 0.0 108.472 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.19 4.056 . . . . 0.0 103.533 174.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 O-C-N 127.713 3.133 . . . . 0.0 111.177 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.45 37.58 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.281 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.47 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 122.509 2.14 . . . . 0.0 111.986 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.889 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.312 -1.755 . . . . 0.0 109.863 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 127.218 2.824 . . . . 0.0 110.397 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.342 -0.849 . . . . 0.0 110.694 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.43 86.96 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.34 1.056 . . . . 0.0 111.486 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.41 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.054 1.471 . . . . 0.0 109.326 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.93 83.72 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.785 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.34 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 117.979 0.354 . . . . 0.0 111.212 176.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.387 0 O-C-N 120.413 -1.429 . . . . 0.0 110.791 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.43 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 125.518 2.58 . . . . 0.0 109.022 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.67 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.711 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.94 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.3 8.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.071 2.669 . . . . 0.0 113.972 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.35 90.16 Favored Glycine 0 CA--C 1.478 -2.243 0 N-CA-C 118.904 2.321 . . . . 0.0 118.904 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.81 83.44 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.754 -1.178 . . . . 0.0 110.981 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.156 2.571 . . . . 0.0 110.908 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.12 92.63 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.88 0.937 . . . . 0.0 113.443 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 119.975 -1.703 . . . . 0.0 112.198 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.42 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.513 -1.367 . . . . 0.0 112.01 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.282 1.991 . . . . 0.0 115.573 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.18 115.93 23.98 Favored 'General case' 0 C--O 1.296 3.54 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 172.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.27 50.95 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 119.456 1.025 . . . . 0.0 109.951 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 125.174 1.546 . . . . 0.0 111.955 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.02 19.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.267 -2.242 . . . . 0.0 110.758 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.87 21.47 61.11 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 128.378 2.894 . . . . 0.0 117.466 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.28 34.61 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.44 37.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.038 -175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 125.079 1.487 . . . . 0.0 109.956 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.26 29.21 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 120.689 3.588 . . . . 0.0 120.689 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.92 85.2 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.096 1.198 . . . . 0.0 116.096 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 120.006 -1.879 . . . . 0.0 108.009 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.185 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.29 70.73 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.458 1.123 . . . . 0.0 110.698 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.39 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.655 -1.164 . . . . 0.0 112.986 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.39 18.47 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 121.575 1.988 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.4 30.3 Favored 'Isoleucine or valine' 0 C--O 1.267 2.013 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.166 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.34 169.57 8.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.161 2.163 . . . . 0.0 109.509 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 18.9 tttm -54.8 143.03 26.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.23 1.491 . . . . 0.0 109.251 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.66 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.722 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.445 2.966 . . . . 0.0 105.876 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.521 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.93 28.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 178.474 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.53 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.49 36.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -85.96 147.99 25.97 Favored 'General case' 0 C--O 1.271 2.227 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.51 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -71.03 145.54 49.88 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 125.815 1.947 . . . . 0.0 109.819 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -66.67 128.53 36.61 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 113.825 -1.534 . . . . 0.0 108.87 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.06 39.11 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 114.679 -1.146 . . . . 0.0 115.069 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 CA-C-O 116.389 -2.34 . . . . 0.0 108.388 179.382 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.978 2.674 . . . . 0.0 108.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.16 49.53 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.479 4.862 . . . . 0.0 108.791 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.473 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 129.406 4.191 . . . . 0.0 108.04 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.88 49.25 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.088 0.868 . . . . 0.0 112.603 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 14.99 30.28 Favored 'General case' 0 N--CA 1.501 2.109 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.031 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.45 80.33 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.145 -1.597 . . . . 0.0 116.123 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.07 34.39 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.8 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.689 2.493 . . . . 0.0 106.021 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 127.598 3.061 . . . . 0.0 109.069 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.7 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.262 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.0 44.22 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.481 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.002 1 O-C-N 129.167 4.042 . . . . 0.0 103.561 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.727 3.142 . . . . 0.0 111.209 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 112.122 -2.308 . . . . 0.0 106.294 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.22 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.604 2.203 . . . . 0.0 111.911 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.926 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.87 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.39 21.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.24 77.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 O-C-N 127.163 2.789 . . . . 0.0 110.399 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.42 79.27 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.325 -0.859 . . . . 0.0 110.701 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 124.293 1.037 . . . . 0.0 111.578 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.058 1.473 . . . . 0.0 109.335 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.97 83.87 Favored 'General case' 0 C--O 1.256 1.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.781 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.4 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.016 0.371 . . . . 0.0 111.231 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.324 -1.485 . . . . 0.0 110.798 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.37 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 125.467 2.556 . . . . 0.0 109.004 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.53 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.757 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.42 17.97 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.38 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.115 2.689 . . . . 0.0 113.977 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.907 2.323 . . . . 0.0 118.907 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.761 -1.175 . . . . 0.0 111.027 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.114 2.543 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.261 1.663 0 O-C-N 122.885 0.94 . . . . 0.0 113.44 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.56 63.64 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 120.015 -1.678 . . . . 0.0 112.224 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.45 28.8 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.482 -1.386 . . . . 0.0 112.037 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 124.294 1.997 . . . . 0.0 115.607 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.544 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 O-C-N 125.199 1.562 . . . . 0.0 111.854 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.806 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.01 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.365 2.888 . . . . 0.0 117.506 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.31 34.59 Favored 'General case' 0 C--O 1.259 1.571 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.73 -1.129 . . . . 0.0 110.057 -175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.07 36.63 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 125.077 1.486 . . . . 0.0 109.951 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.2 30.05 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.697 3.591 . . . . 0.0 120.697 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.29 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.109 1.204 . . . . 0.0 116.109 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.58 16.98 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 120.017 -1.873 . . . . 0.0 107.983 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.23 79.31 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.039 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.174 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.34 70.45 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.455 1.122 . . . . 0.0 110.734 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.44 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.029 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.38 18.56 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.52 1.964 . . . . 0.0 111.224 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.42 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.125 -2.369 . . . . 0.0 106.172 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.55 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.067 2.104 . . . . 0.0 109.507 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -54.76 143.03 26.67 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.222 1.486 . . . . 0.0 109.244 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.19 159.45 34.63 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 174.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.11 126.66 52.15 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.759 -2.543 . . . . 0.0 105.7 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.402 2.939 . . . . 0.0 105.924 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.819 0 CA-C-O 117.577 -1.202 . . . . 0.0 111.498 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.101 0.477 . . . . 0.0 109.845 178.454 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.452 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.584 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 84.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.466 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.91 37.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . -98.23 135.97 39.1 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.531 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -74.19 174.13 9.17 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 125.863 1.977 . . . . 0.0 109.785 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.93 160.63 42.6 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.842 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.38 177.27 30.24 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.07 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.438 0 CA-C-O 116.403 -2.332 . . . . 0.0 108.337 179.297 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 126.959 2.662 . . . . 0.0 108.893 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.95 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.433 4.833 . . . . 0.0 108.758 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.503 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.236 1 O-C-N 129.41 4.194 . . . . 0.0 108.062 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.94 49.56 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 124.086 0.866 . . . . 0.0 112.602 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.27 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.45 80.31 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.142 -1.599 . . . . 0.0 116.188 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.631 2.457 . . . . 0.0 106.044 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.01 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.613 3.07 . . . . 0.0 109.032 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.76 36.67 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.265 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.385 -2.245 . . . . 0.0 108.428 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.42 Favored 'General case' 0 N--CA 1.5 2.041 1 O-C-N 129.243 4.09 . . . . 0.0 103.56 174.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.723 3.139 . . . . 0.0 111.24 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.5 37.76 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.144 -2.298 . . . . 0.0 106.294 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.51 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.589 2.193 . . . . 0.0 111.918 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.948 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.868 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.149 2.781 . . . . 0.0 110.368 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.349 -0.844 . . . . 0.0 110.727 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.93 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.315 1.046 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.019 1.449 . . . . 0.0 109.324 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.804 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.08 87.39 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 117.957 0.344 . . . . 0.0 111.227 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.3 86.98 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 120.405 -1.435 . . . . 0.0 110.81 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.45 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.59 79.36 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.461 2.553 . . . . 0.0 108.984 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.54 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.747 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.43 17.97 Favored 'General case' 0 C--O 1.279 2.654 0 N-CA-C 117.063 2.246 . . . . 0.0 117.063 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.091 2.678 . . . . 0.0 113.969 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.45 90.08 Favored Glycine 0 CA--C 1.478 -2.25 0 N-CA-C 118.917 2.327 . . . . 0.0 118.917 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.85 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.797 -1.161 . . . . 0.0 111.017 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.48 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.142 2.561 . . . . 0.0 110.916 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.262 1.682 0 O-C-N 122.892 0.943 . . . . 0.0 113.393 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.14 -15.59 63.65 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.986 -1.696 . . . . 0.0 112.221 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.522 -1.361 . . . . 0.0 112.045 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 124.332 2.015 . . . . 0.0 115.616 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 172.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.02 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.502 1.046 . . . . 0.0 110.01 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.89 72.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.205 1.566 . . . . 0.0 111.904 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.32 129.67 18.84 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.74 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.61 60.99 Favored Glycine 0 N--CA 1.432 -1.603 0 C-N-CA 128.365 2.888 . . . . 0.0 117.505 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.4 37.46 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.991 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.74 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 125.096 1.497 . . . . 0.0 109.935 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.66 Favored 'General case' 0 C--O 1.266 1.923 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.84 85.29 Favored Glycine 0 CA--C 1.491 -1.439 0 N-CA-C 116.119 1.208 . . . . 0.0 116.119 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.62 16.99 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 119.978 -1.896 . . . . 0.0 108.01 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.56 11.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.19 79.24 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.167 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.26 70.48 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.497 1.142 . . . . 0.0 110.736 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.65 51.59 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.965 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.37 18.31 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.582 1.992 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.048 0 CA-C-O 115.134 -2.365 . . . . 0.0 106.167 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.07 2.106 . . . . 0.0 109.533 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 123.223 1.487 . . . . 0.0 109.235 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 117.896 2.554 . . . . 0.0 117.896 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.56 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.14 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.65 19.09 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.752 -2.546 . . . . 0.0 105.667 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.388 2.93 . . . . 0.0 105.903 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.83 30.87 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.482 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.196 0.522 . . . . 0.0 109.86 178.452 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.584 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.466 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.561 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.78 37.38 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -92.15 -49.25 6.29 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.506 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 59.03 110.87 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 O-C-N 125.813 1.945 . . . . 0.0 109.808 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.76 -43.24 99.25 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.862 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.48 -1.19 78.16 Favored Glycine 0 C--O 1.244 0.729 0 CA-C-N 114.654 -1.157 . . . . 0.0 115.083 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.376 -2.347 . . . . 0.0 108.394 179.304 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.944 2.652 . . . . 0.0 108.952 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.662 1 O-C-N 130.455 4.847 . . . . 0.0 108.774 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.499 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.53 41.27 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.388 4.18 . . . . 0.0 108.067 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.4 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.98 49.75 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.048 0.843 . . . . 0.0 112.602 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.5 80.35 Favored Glycine 0 C--N 1.298 -1.554 0 O-C-N 120.162 -1.586 . . . . 0.0 116.145 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.78 55.33 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 126.56 2.412 . . . . 0.0 106.018 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.615 3.072 . . . . 0.0 109.039 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.77 36.71 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.281 -1.767 . . . . 0.0 108.224 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.449 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.45 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.229 4.08 . . . . 0.0 103.565 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 O-C-N 127.638 3.086 . . . . 0.0 111.252 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.8 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.188 -2.278 . . . . 0.0 106.351 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.43 39.49 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.573 2.182 . . . . 0.0 111.933 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.15 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.889 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.905 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.28 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.176 2.798 . . . . 0.0 110.409 175.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.42 79.13 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.374 -0.829 . . . . 0.0 110.764 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.006 0 C-N-CA 124.316 1.046 . . . . 0.0 111.495 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.02 1.45 . . . . 0.0 109.297 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -38.01 83.85 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.756 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.004 0.366 . . . . 0.0 111.209 176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.0 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.404 -1.435 . . . . 0.0 110.815 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.2 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 125.522 2.582 . . . . 0.0 109.037 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.716 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 -175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.151 2.705 . . . . 0.0 113.957 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.3 90.17 Favored Glycine 0 CA--C 1.478 -2.258 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.022 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.9 79.42 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.126 2.551 . . . . 0.0 110.925 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.653 0 O-C-N 122.884 0.939 . . . . 0.0 113.423 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.727 0 O-C-N 120.0 -1.688 . . . . 0.0 112.199 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.44 28.87 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.523 -1.361 . . . . 0.0 112.021 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.266 1.984 . . . . 0.0 115.67 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.26 50.95 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.481 1.037 . . . . 0.0 109.995 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.148 1.53 . . . . 0.0 111.904 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.94 19.73 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.715 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.374 2.893 . . . . 0.0 117.551 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.34 37.49 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.033 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.04 36.67 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.015 1.447 . . . . 0.0 109.972 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.2 29.94 Favored 'General case' 0 C--O 1.265 1.881 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.28 Favored Glycine 0 CA--C 1.492 -1.389 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.58 17.01 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.002 -1.881 . . . . 0.0 108.002 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.61 11.63 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.25 79.39 Favored 'General case' 0 C--O 1.202 -1.409 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.76 Favored 'General case' 0 C--O 1.269 2.087 0 C-N-CA 117.343 -1.743 . . . . 0.0 112.152 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.26 70.61 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.493 1.139 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.66 51.56 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.953 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.41 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 121.595 1.998 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.138 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 126.08 2.113 . . . . 0.0 109.527 -176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.71 143.03 26.42 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.218 1.485 . . . . 0.0 109.257 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.68 52.16 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.7 19.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 114.717 -2.563 . . . . 0.0 105.72 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.72 46.55 Favored 'General case' 0 C--N 1.286 -2.187 0 O-C-N 127.41 2.944 . . . . 0.0 105.873 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.523 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 175.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.181 0.515 . . . . 0.0 109.769 178.464 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.561 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.515 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.87 38.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -80.82 154.94 26.87 Favored 'General case' 0 C--O 1.272 2.252 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.476 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -73.4 157.62 36.56 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 125.772 1.92 . . . . 0.0 109.816 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.88 -40.13 94.33 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.856 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.34 -159.28 53.83 Favored Glycine 0 C--O 1.244 0.741 0 CA-C-N 114.679 -1.146 . . . . 0.0 115.103 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.425 0 CA-C-O 116.382 -2.343 . . . . 0.0 108.379 179.158 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 126.98 2.675 . . . . 0.0 108.894 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.436 4.835 . . . . 0.0 108.761 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.17 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.485 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.54 41.23 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.338 4.149 . . . . 0.0 108.04 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.73 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.081 0.863 . . . . 0.0 112.596 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.823 -2.351 . . . . 0.0 112.013 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.58 80.25 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.119 -1.613 . . . . 0.0 116.13 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.06 34.52 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.77 55.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 126.615 2.447 . . . . 0.0 106.045 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.55 141.95 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.587 3.055 . . . . 0.0 109.03 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.39 139.81 36.54 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.284 -1.766 . . . . 0.0 108.198 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.02 44.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.467 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.19 44.38 Favored 'General case' 0 N--CA 1.499 1.977 1 O-C-N 129.236 4.085 . . . . 0.0 103.595 173.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.67 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.74 3.15 . . . . 0.0 111.205 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.54 37.82 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.31 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.48 39.29 Favored 'Trans proline' 0 C--N 1.32 -0.972 0 C-N-CA 122.582 2.188 . . . . 0.0 111.953 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.872 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.885 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.38 21.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.172 2.795 . . . . 0.0 110.355 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.4 79.04 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.335 -0.853 . . . . 0.0 110.68 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.8 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.304 1.042 . . . . 0.0 111.54 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.4 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.059 1.474 . . . . 0.0 109.324 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.97 83.78 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.06 87.16 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.024 0.374 . . . . 0.0 111.217 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.26 86.85 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.367 -1.458 . . . . 0.0 110.757 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.45 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.549 2.595 . . . . 0.0 109.022 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.42 17.95 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.12 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 123.097 2.68 . . . . 0.0 113.963 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.839 2.295 . . . . 0.0 118.839 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.85 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.031 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.158 2.572 . . . . 0.0 110.93 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.2 92.78 Favored 'Trans proline' 0 C--O 1.262 1.692 0 C-N-CA 120.709 0.939 . . . . 0.0 113.429 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.16 -15.6 63.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 119.963 -1.711 . . . . 0.0 112.185 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.47 28.91 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.551 -1.343 . . . . 0.0 112.042 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.276 1.989 . . . . 0.0 115.642 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.97 24.04 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 119.476 1.034 . . . . 0.0 109.975 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.21 1.569 . . . . 0.0 111.862 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.02 19.39 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.23 -2.259 . . . . 0.0 110.753 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 128.355 2.883 . . . . 0.0 117.504 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.44 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.056 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.03 36.69 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.014 1.446 . . . . 0.0 109.961 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.86 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.11 0 O-C-N 120.002 -1.881 . . . . 0.0 108.026 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.24 79.32 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.61 70.79 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.312 -1.755 . . . . 0.0 112.172 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.29 70.69 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.451 1.12 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 117.623 -1.18 . . . . 0.0 112.939 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.33 18.46 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 121.584 1.993 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.071 2.107 . . . . 0.0 109.487 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 20.0 pttt -54.75 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.21 1.481 . . . . 0.0 109.266 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.19 10.65 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.57 34.43 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.71 52.16 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.699 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.463 2.977 . . . . 0.0 105.875 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.81 30.83 Favored 'General case' 0 C--O 1.282 2.8 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.51 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.197 0.522 . . . . 0.0 109.805 178.489 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.515 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.748 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.8 37.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -89.95 -133.0 0.1 Allowed 'General case' 0 C--O 1.273 2.307 0 CA-C-O 113.354 -3.212 . . . . 0.0 105.497 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 75' ' ' GLY . . . -164.11 139.68 6.14 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 125.79 1.931 . . . . 0.0 109.857 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -71.34 93.94 1.17 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.876 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 73' ' ' LEU . . . -62.47 -40.56 99.25 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 114.608 -1.178 . . . . 0.0 115.077 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.364 -2.353 . . . . 0.0 108.405 179.133 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.961 2.663 . . . . 0.0 108.941 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.08 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.441 4.838 . . . . 0.0 108.758 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.503 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.47 41.2 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.369 4.168 . . . . 0.0 108.078 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.97 49.72 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.034 0.834 . . . . 0.0 112.603 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.03 30.15 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.005 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.44 80.38 Favored Glycine 0 C--N 1.298 -1.58 0 O-C-N 120.17 -1.581 . . . . 0.0 116.171 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.03 34.47 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 126.576 2.422 . . . . 0.0 106.022 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.99 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 127.574 3.046 . . . . 0.0 109.008 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.79 36.59 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.26 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.49 154.02 44.33 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.395 -2.241 . . . . 0.0 108.454 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.36 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.16 4.037 . . . . 0.0 103.57 174.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 O-C-N 127.676 3.11 . . . . 0.0 111.224 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.7 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.342 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.41 39.09 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.556 2.171 . . . . 0.0 111.974 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.21 59.16 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.882 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 117.369 -1.732 . . . . 0.0 109.854 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 O-C-N 127.19 2.806 . . . . 0.0 110.374 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.55 -40.53 79.09 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.341 -0.849 . . . . 0.0 110.73 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.4 -44.51 87.22 Favored 'General case' 0 C--O 1.249 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 111.491 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.46 89.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.033 1.458 . . . . 0.0 109.281 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.04 83.85 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.03 87.26 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.001 0.364 . . . . 0.0 111.255 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.427 -1.421 . . . . 0.0 110.799 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.54 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.484 2.564 . . . . 0.0 108.978 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.782 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.41 17.92 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.093 2.679 . . . . 0.0 113.934 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.479 -2.215 0 N-CA-C 118.825 2.29 . . . . 0.0 118.825 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.86 83.37 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.776 -1.17 . . . . 0.0 111.043 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.12 2.546 . . . . 0.0 110.975 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.25 -32.12 92.73 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.702 0.935 . . . . 0.0 113.448 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.977 -1.702 . . . . 0.0 112.166 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.48 28.87 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.514 -1.366 . . . . 0.0 112.055 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.64 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.294 1.997 . . . . 0.0 115.625 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.99 24.09 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.65 130.25 51.08 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 119.492 1.042 . . . . 0.0 109.991 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.165 1.54 . . . . 0.0 111.916 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.65 18.86 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.52 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 112.237 -2.256 . . . . 0.0 110.777 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.88 21.46 61.1 Favored Glycine 0 N--CA 1.432 -1.59 0 C-N-CA 128.351 2.881 . . . . 0.0 117.541 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.63 46.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.52 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.025 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.71 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 125.108 1.505 . . . . 0.0 109.981 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.18 29.81 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.28 Favored Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 116.088 1.195 . . . . 0.0 116.088 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.59 16.99 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.993 -1.886 . . . . 0.0 107.976 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.62 164.57 11.67 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.22 79.23 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.57 70.73 Favored 'General case' 0 C--O 1.269 2.083 0 C-N-CA 117.263 -1.775 . . . . 0.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 122.51 1.147 . . . . 0.0 110.747 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.07 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.0 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.36 18.48 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 121.543 1.974 . . . . 0.0 111.175 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.107 -2.378 . . . . 0.0 106.185 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.091 2.12 . . . . 0.0 109.499 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -54.75 143.02 26.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.211 1.482 . . . . 0.0 109.25 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.11 10.61 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.54 34.52 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.68 52.11 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.66 19.1 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.714 175.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.35 2.906 . . . . 0.0 105.891 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.77 30.77 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.471 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.93 28.45 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.171 0.51 . . . . 0.0 109.817 178.446 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.748 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.21 36.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -103.22 167.07 10.05 Favored 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.473 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -153.65 166.73 31.88 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.776 1.922 . . . . 0.0 109.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -153.37 161.32 42.44 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.867 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.96 -156.55 9.62 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.669 -1.151 . . . . 0.0 115.029 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.346 -2.363 . . . . 0.0 108.387 179.187 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.956 2.66 . . . . 0.0 108.902 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.02 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.512 2.661 1 O-C-N 130.425 4.828 . . . . 0.0 108.803 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.439 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.49 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.4 4.187 . . . . 0.0 108.067 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.9 49.31 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.097 0.873 . . . . 0.0 112.544 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.07 30.02 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.009 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.149 -1.594 . . . . 0.0 116.128 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.08 34.36 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 175.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.75 55.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.605 2.441 . . . . 0.0 106.049 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.02 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.596 3.06 . . . . 0.0 109.05 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.83 36.6 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.232 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.03 44.28 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.81 121.19 44.39 Favored 'General case' 0 N--CA 1.498 1.958 1 O-C-N 129.181 4.05 . . . . 0.0 103.596 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.62 15.84 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.698 3.124 . . . . 0.0 111.242 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.2 -2.273 . . . . 0.0 106.355 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.47 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.509 2.139 . . . . 0.0 111.957 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.851 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.58 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.18 2.8 . . . . 0.0 110.377 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.48 79.16 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.362 -0.836 . . . . 0.0 110.71 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.48 86.98 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 124.343 1.057 . . . . 0.0 111.501 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.028 1.455 . . . . 0.0 109.29 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.97 83.92 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.05 87.32 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 117.992 0.36 . . . . 0.0 111.21 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.2 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 120.428 -1.42 . . . . 0.0 110.829 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.52 77.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.62 79.26 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.495 2.569 . . . . 0.0 108.985 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.704 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.46 17.95 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.114 2.688 . . . . 0.0 113.958 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.26 5.3 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.82 83.43 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 118.761 -1.176 . . . . 0.0 111.029 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.562 0 C-N-CA 123.117 2.544 . . . . 0.0 110.943 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.72 0 C-N-CA 120.7 0.933 . . . . 0.0 113.403 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.78 0 O-C-N 119.95 -1.719 . . . . 0.0 112.229 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.79 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.535 -1.353 . . . . 0.0 112.026 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 124.303 2.001 . . . . 0.0 115.671 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.9 23.86 Favored 'General case' 0 C--O 1.296 3.509 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.93 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.479 1.036 . . . . 0.0 109.979 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.146 1.529 . . . . 0.0 111.893 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.7 18.95 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.95 19.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.214 -2.266 . . . . 0.0 110.825 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.373 2.892 . . . . 0.0 117.469 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.804 -2.665 . . . . 0.0 103.804 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 117.757 -1.115 . . . . 0.0 109.982 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.77 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 125.081 1.488 . . . . 0.0 109.923 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.701 3.593 . . . . 0.0 120.701 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.83 85.28 Favored Glycine 0 CA--C 1.492 -1.355 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.251 1.145 0 O-C-N 120.009 -1.877 . . . . 0.0 108.025 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.54 11.68 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.09 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.97 -29.55 70.7 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.299 -1.76 . . . . 0.0 112.193 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.31 70.59 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.451 1.119 . . . . 0.0 110.679 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.73 51.38 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.981 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.31 18.47 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.56 1.982 . . . . 0.0 111.211 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.038 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.169 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.102 2.126 . . . . 0.0 109.543 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 19.3 ptpt -54.78 143.02 26.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.267 1.508 . . . . 0.0 109.23 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.97 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 117.935 2.568 . . . . 0.0 117.935 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.681 -2.581 . . . . 0.0 105.757 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.5 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.945 . . . . 0.0 105.882 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.97 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.532 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.152 0.501 . . . . 0.0 109.817 178.497 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.432 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.436 ' C ' ' H ' ' A' ' 73' ' ' LEU . . . -96.06 136.79 36.04 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -73.12 8.84 1.43 Allowed 'General case' 0 C--O 1.272 2.269 0 CA-C-O 113.441 -3.171 . . . . 0.0 105.51 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 58.93 70.98 0.61 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 125.773 1.92 . . . . 0.0 109.85 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 42.61 -132.79 0.5 Allowed 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.769 -1.56 . . . . 0.0 108.827 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.55 93.11 0.11 Allowed Glycine 0 C--O 1.243 0.7 0 CA-C-N 114.661 -1.154 . . . . 0.0 115.121 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 CA-C-O 116.37 -2.35 . . . . 0.0 108.38 179.242 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 127.013 2.695 . . . . 0.0 108.939 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.0 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 173.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.465 4.853 . . . . 0.0 108.821 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.371 -3.204 . . . . 0.0 105.495 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.44 41.17 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.424 4.203 . . . . 0.0 108.058 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.76 8.39 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.69 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.071 0.857 . . . . 0.0 112.567 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.808 -2.357 . . . . 0.0 111.98 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.56 80.28 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.137 -1.602 . . . . 0.0 116.094 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.45 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.628 2.455 . . . . 0.0 105.967 176.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 127.544 3.028 . . . . 0.0 109.102 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.68 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.215 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.06 44.17 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 115.386 -2.245 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.119 4.012 . . . . 0.0 103.562 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 O-C-N 127.689 3.118 . . . . 0.0 111.21 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.48 37.56 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.179 -2.282 . . . . 0.0 106.325 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.4 38.76 Favored 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 122.551 2.167 . . . . 0.0 111.944 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.98 -8.12 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.914 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.51 47.55 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.311 -1.756 . . . . 0.0 109.864 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.45 21.17 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.221 2.826 . . . . 0.0 110.39 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.2 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.37 -0.831 . . . . 0.0 110.699 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.17 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.297 1.039 . . . . 0.0 111.549 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.37 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 125.057 1.473 . . . . 0.0 109.263 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.94 83.81 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.778 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.278 2.559 0 CA-C-N 117.97 0.35 . . . . 0.0 111.227 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.24 86.81 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 120.401 -1.437 . . . . 0.0 110.815 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.52 77.49 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.62 79.26 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 125.514 2.578 . . . . 0.0 109.014 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.46 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.754 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.633 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.091 2.678 . . . . 0.0 113.983 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.911 2.325 . . . . 0.0 118.911 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.92 83.27 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.824 -1.15 . . . . 0.0 111.045 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.77 Favored 'Trans proline' 0 C--O 1.258 1.512 0 C-N-CA 123.177 2.585 . . . . 0.0 110.94 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.664 0 O-C-N 122.851 0.922 . . . . 0.0 113.434 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.774 0 O-C-N 119.966 -1.709 . . . . 0.0 112.229 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.42 29.03 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.524 -1.36 . . . . 0.0 112.011 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.69 34.77 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 124.304 2.002 . . . . 0.0 115.647 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.87 23.83 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.24 50.9 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.483 1.038 . . . . 0.0 109.948 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.81 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.775 0 O-C-N 125.133 1.52 . . . . 0.0 111.863 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.67 18.91 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.95 19.52 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.819 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.08 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.313 2.864 . . . . 0.0 117.508 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 174.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.33 37.43 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 117.762 -1.114 . . . . 0.0 110.001 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.75 139.99 36.65 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.067 1.479 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.25 29.88 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.668 3.581 . . . . 0.0 120.668 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.423 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.58 16.99 Favored 'General case' 0 C--O 1.25 1.102 0 O-C-N 119.998 -1.884 . . . . 0.0 108.005 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.2 79.26 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.349 -1.74 . . . . 0.0 112.135 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.31 70.56 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.41 1.1 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.67 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.644 -1.17 . . . . 0.0 112.956 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.561 1.982 . . . . 0.0 111.202 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.42 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.161 -2.352 . . . . 0.0 106.186 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.068 2.105 . . . . 0.0 109.568 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -54.74 143.06 26.5 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 123.224 1.488 . . . . 0.0 109.281 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.21 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.51 34.53 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.739 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.409 2.943 . . . . 0.0 105.869 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.822 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.482 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 178.449 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.437 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.7 ' O ' ' H93' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.64 36.24 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -80.99 -130.5 0.02 OUTLIER 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -163.73 126.5 2.56 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 125.759 1.912 . . . . 0.0 109.831 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -98.63 130.93 45.16 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 113.789 -1.551 . . . . 0.0 108.859 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.68 159.31 27.9 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.652 -1.158 . . . . 0.0 115.092 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 CA-C-O 116.409 -2.328 . . . . 0.0 108.335 179.154 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 127.032 2.708 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-O 115.953 -1.975 . . . . 0.0 105.702 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.99 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.469 4.856 . . . . 0.0 108.812 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.477 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.52 41.24 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.94 49.55 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 124.039 0.837 . . . . 0.0 112.575 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.811 -2.356 . . . . 0.0 111.998 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.32 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.097 -1.627 . . . . 0.0 116.088 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.38 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 126.544 2.402 . . . . 0.0 106.03 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 127.631 3.082 . . . . 0.0 109.068 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.66 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.238 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 115.325 -2.274 . . . . 0.0 108.431 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.265 4.103 . . . . 0.0 103.563 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.66 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 O-C-N 127.737 3.148 . . . . 0.0 111.178 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.69 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.143 -2.298 . . . . 0.0 106.317 174.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.321 -0.901 0 C-N-CA 122.5 2.133 . . . . 0.0 111.96 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.91 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.46 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.843 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.32 77.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.17 2.794 . . . . 0.0 110.372 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.43 78.98 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.378 -0.826 . . . . 0.0 110.763 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.47 87.06 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.336 1.055 . . . . 0.0 111.507 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 125.023 1.452 . . . . 0.0 109.342 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.97 83.7 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.762 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.14 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.968 0.349 . . . . 0.0 111.152 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.31 87.04 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.358 -1.464 . . . . 0.0 110.829 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.53 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.57 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.531 2.586 . . . . 0.0 109.014 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.73 66.65 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.749 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.618 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.64 -6.34 8.06 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.132 2.696 . . . . 0.0 114.006 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.894 2.318 . . . . 0.0 118.894 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.81 124.87 83.17 Favored Pre-proline 0 C--O 1.243 0.735 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.109 2.539 . . . . 0.0 110.952 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.18 92.74 Favored 'Trans proline' 0 C--O 1.262 1.681 0 O-C-N 122.878 0.936 . . . . 0.0 113.438 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.6 63.64 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.975 -1.703 . . . . 0.0 112.222 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.77 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.511 -1.368 . . . . 0.0 112.054 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.72 34.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.304 2.002 . . . . 0.0 115.614 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.89 Favored 'General case' 0 C--O 1.296 3.543 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 51.0 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 119.448 1.022 . . . . 0.0 110.002 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.153 1.533 . . . . 0.0 111.88 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 112.253 -2.249 . . . . 0.0 110.795 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.08 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.363 2.887 . . . . 0.0 117.495 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.61 46.4 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.592 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.61 138.4 37.42 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.985 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 125.01 1.444 . . . . 0.0 109.98 -177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.23 29.69 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.03 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 119.954 -1.909 . . . . 0.0 107.959 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.17 79.25 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.183 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.51 -39.34 70.37 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.5 1.143 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.62 51.56 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.718 -1.134 . . . . 0.0 113.026 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.41 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 121.551 1.978 . . . . 0.0 111.209 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.046 0 CA-C-O 115.072 -2.395 . . . . 0.0 106.186 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.131 2.145 . . . . 0.0 109.521 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 18.9 ptpt -54.78 143.0 26.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.226 1.489 . . . . 0.0 109.281 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.497 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.97 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.46 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.69 52.11 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.69 19.04 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.678 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.71 135.77 46.53 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.42 2.95 . . . . 0.0 105.852 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.78 30.78 Favored 'General case' 0 C--O 1.282 2.811 0 CA-C-O 117.619 -1.181 . . . . 0.0 111.465 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.163 0.506 . . . . 0.0 109.801 178.458 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.7 ' H93' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.762 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.17 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.32 127.73 34.83 Favored 'General case' 0 C--O 1.272 2.24 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.486 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.512 ' O ' ' O ' ' A' ' 74' ' ' ARG . . . -70.19 126.52 29.9 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 125.784 1.927 . . . . 0.0 109.851 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.512 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -71.57 134.95 46.79 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 113.816 -1.538 . . . . 0.0 108.826 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.19 156.69 26.2 Favored Glycine 0 C--O 1.243 0.675 0 CA-C-N 114.622 -1.172 . . . . 0.0 115.08 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.44 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.398 179.034 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.2 31.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 126.96 2.662 . . . . 0.0 108.932 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.02 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.512 2.646 1 O-C-N 130.449 4.843 . . . . 0.0 108.794 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.421 -3.181 . . . . 0.0 105.485 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.415 4.197 . . . . 0.0 108.051 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.74 8.4 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.054 0.846 . . . . 0.0 112.614 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.07 30.0 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.014 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.44 80.41 Favored Glycine 0 C--N 1.298 -1.538 0 O-C-N 120.107 -1.62 . . . . 0.0 116.132 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.04 34.48 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.77 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.593 2.433 . . . . 0.0 106.024 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 141.96 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 127.624 3.078 . . . . 0.0 109.049 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.229 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 115.379 -2.248 . . . . 0.0 108.473 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.192 4.058 . . . . 0.0 103.545 174.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.67 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.678 3.111 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.49 37.77 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.281 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.44 39.31 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.538 2.159 . . . . 0.0 111.97 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.09 59.12 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.894 -177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.52 47.45 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.847 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.26 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 127.192 2.807 . . . . 0.0 110.401 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.44 78.95 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.366 -0.833 . . . . 0.0 110.696 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.53 86.78 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.353 1.061 . . . . 0.0 111.468 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.44 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 125.09 1.494 . . . . 0.0 109.288 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.99 83.79 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.766 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.99 87.11 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 118.047 0.385 . . . . 0.0 111.216 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.21 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 120.345 -1.472 . . . . 0.0 110.77 176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.47 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.36 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.5 2.572 . . . . 0.0 108.983 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.72 66.48 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.712 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.644 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.38 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.109 2.686 . . . . 0.0 113.965 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.317 0 N-CA-C 118.887 2.315 . . . . 0.0 118.887 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.77 124.82 83.26 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.823 -1.151 . . . . 0.0 111.008 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.124 2.549 . . . . 0.0 110.888 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.76 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 122.908 0.951 . . . . 0.0 113.414 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.55 63.62 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.997 -1.689 . . . . 0.0 112.18 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 120.507 -1.371 . . . . 0.0 112.032 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.29 1.995 . . . . 0.0 115.647 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.23 50.93 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.453 1.024 . . . . 0.0 109.988 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.86 72.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.141 1.526 . . . . 0.0 111.924 -177.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.65 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 112.233 -2.258 . . . . 0.0 110.762 177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.61 61.09 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.361 2.886 . . . . 0.0 117.5 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.051 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.02 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.031 1.457 . . . . 0.0 110.0 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.21 29.49 Favored 'General case' 0 C--O 1.265 1.871 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.84 85.23 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.087 1.195 . . . . 0.0 116.087 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 119.966 -1.902 . . . . 0.0 107.969 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.22 79.29 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.269 -1.772 . . . . 0.0 112.174 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.34 70.51 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 122.461 1.124 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.979 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.557 1.981 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.46 30.38 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.108 -2.377 . . . . 0.0 106.17 175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.47 169.54 8.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.138 2.149 . . . . 0.0 109.538 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.544 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.06 26.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.212 1.482 . . . . 0.0 109.227 -176.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.16 10.63 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.49 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.68 135.77 46.5 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.381 2.925 . . . . 0.0 105.906 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.774 0 CA-C-O 117.621 -1.18 . . . . 0.0 111.532 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.163 0.506 . . . . 0.0 109.813 178.479 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.762 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.05 39.57 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 159.2 -164.76 0.0 OUTLIER 'General case' 0 C--O 1.272 2.272 0 CA-C-O 113.377 -3.201 . . . . 0.0 105.477 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 78.1 32.25 0.37 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 125.801 1.938 . . . . 0.0 109.817 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -83.62 129.21 34.96 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.85 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.36 161.78 28.69 Favored Glycine 0 C--O 1.243 0.693 0 CA-C-N 114.627 -1.169 . . . . 0.0 115.066 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 116.36 -2.355 . . . . 0.0 108.365 179.143 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.965 2.666 . . . . 0.0 108.898 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 173.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.435 4.834 . . . . 0.0 108.787 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.471 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.45 41.22 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.41 4.194 . . . . 0.0 108.035 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.76 8.39 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.96 49.67 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.085 0.866 . . . . 0.0 112.575 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.02 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.84 -2.344 . . . . 0.0 111.987 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.298 -1.57 0 O-C-N 120.113 -1.617 . . . . 0.0 116.129 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.04 34.46 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 174.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.32 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 126.619 2.45 . . . . 0.0 106.014 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.0 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.572 3.045 . . . . 0.0 109.034 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.59 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.2 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.04 44.26 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.424 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.27 44.58 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.169 4.043 . . . . 0.0 103.545 173.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 O-C-N 127.669 3.106 . . . . 0.0 111.194 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.138 -2.301 . . . . 0.0 106.356 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 122.575 2.183 . . . . 0.0 112.003 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.16 59.15 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.857 -177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.52 47.49 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.889 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.3 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 127.166 2.791 . . . . 0.0 110.394 175.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.45 79.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.369 -0.832 . . . . 0.0 110.742 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.46 86.88 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.341 1.056 . . . . 0.0 111.542 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.38 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 125.05 1.469 . . . . 0.0 109.341 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.96 83.84 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.773 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.01 87.02 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.98 0.355 . . . . 0.0 111.245 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.356 -1.465 . . . . 0.0 110.787 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.52 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.46 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.554 2.597 . . . . 0.0 109.012 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.694 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.998 2.222 . . . . 0.0 116.998 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.33 8.1 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.1 2.682 . . . . 0.0 113.958 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.911 2.324 . . . . 0.0 118.911 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.4 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.988 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.119 2.546 . . . . 0.0 110.955 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.16 92.75 Favored 'Trans proline' 0 C--O 1.262 1.716 0 O-C-N 122.856 0.924 . . . . 0.0 113.375 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.969 -1.707 . . . . 0.0 112.202 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.5 28.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.481 -1.387 . . . . 0.0 112.009 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.278 1.989 . . . . 0.0 115.654 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.517 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.26 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.436 1.016 . . . . 0.0 110.022 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.77 72.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.164 1.54 . . . . 0.0 111.89 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.0 19.58 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.297 -2.229 . . . . 0.0 110.743 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.62 61.12 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.398 2.904 . . . . 0.0 117.49 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.12 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.35 37.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.023 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.99 36.73 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 125.073 1.483 . . . . 0.0 109.924 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.24 29.17 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.747 3.61 . . . . 0.0 120.747 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.88 85.24 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.015 -1.873 . . . . 0.0 108.021 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.63 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.13 -36.24 79.23 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.179 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.27 70.64 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.454 1.121 . . . . 0.0 110.723 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.002 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.51 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 121.52 1.964 . . . . 0.0 111.176 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.173 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.5 8.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.102 2.126 . . . . 0.0 109.529 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.73 143.06 26.43 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 123.186 1.47 . . . . 0.0 109.262 -176.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.88 19.19 10.67 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.71 52.25 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.728 175.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.39 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.443 2.964 . . . . 0.0 105.924 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.79 Favored 'General case' 0 C--O 1.283 2.832 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.478 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.87 28.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 175.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.192 0.52 . . . . 0.0 109.828 178.488 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.459 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.592 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.91 35.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -95.31 115.63 27.69 Favored 'General case' 0 C--O 1.271 2.226 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.528 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.432 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . -131.85 119.54 21.35 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 125.82 1.95 . . . . 0.0 109.856 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.432 ' H ' ' H ' ' A' ' 73' ' ' LEU . . . -162.34 176.38 10.6 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.765 -1.561 . . . . 0.0 108.843 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.75 -147.73 7.03 Favored Glycine 0 C--O 1.243 0.689 0 CA-C-N 114.692 -1.14 . . . . 0.0 115.093 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.388 -2.34 . . . . 0.0 108.365 179.151 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 127.0 2.687 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.416 4.823 . . . . 0.0 108.76 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.51 41.25 Favored 'General case' 0 N--CA 1.505 2.286 1 O-C-N 129.381 4.176 . . . . 0.0 108.05 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.84 49.04 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 124.044 0.84 . . . . 0.0 112.56 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.796 -2.362 . . . . 0.0 112.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.53 80.33 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 120.117 -1.614 . . . . 0.0 116.143 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.36 138.07 34.49 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.33 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 126.546 2.404 . . . . 0.0 106.016 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 127.586 3.054 . . . . 0.0 109.078 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.7 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 117.252 -1.779 . . . . 0.0 108.232 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.98 44.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 115.377 -2.249 . . . . 0.0 108.434 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.15 44.31 Favored 'General case' 0 N--CA 1.498 1.966 1 O-C-N 129.17 4.044 . . . . 0.0 103.61 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.01 170.64 15.88 Favored 'Isoleucine or valine' 0 C--O 1.251 1.148 0 O-C-N 127.7 3.125 . . . . 0.0 111.201 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.49 37.72 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.097 -2.319 . . . . 0.0 106.326 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.49 39.42 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.507 2.138 . . . . 0.0 111.918 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.13 59.12 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.874 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.44 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.875 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.42 21.2 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.214 2.821 . . . . 0.0 110.37 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.16 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.362 -0.836 . . . . 0.0 110.72 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.55 -44.37 86.99 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.264 1.026 . . . . 0.0 111.574 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.39 -46.45 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.069 1.481 . . . . 0.0 109.308 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.8 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.98 87.04 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-N 118.019 0.372 . . . . 0.0 111.251 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.26 86.88 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.387 -1.446 . . . . 0.0 110.83 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.49 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.53 79.57 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.565 2.602 . . . . 0.0 109.044 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.71 66.71 Favored 'General case' 0 C--O 1.254 1.33 0 CA-C-N 113.659 -1.61 . . . . 0.0 111.747 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.978 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.39 90.1 Favored Glycine 0 CA--C 1.477 -2.297 0 N-CA-C 118.893 2.317 . . . . 0.0 118.893 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.84 83.38 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.068 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.164 2.576 . . . . 0.0 110.953 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.77 Favored 'Trans proline' 0 C--O 1.262 1.714 0 C-N-CA 120.702 0.935 . . . . 0.0 113.396 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 119.938 -1.726 . . . . 0.0 112.218 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.48 28.74 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.485 -1.384 . . . . 0.0 112.048 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.71 129.65 34.8 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.305 2.002 . . . . 0.0 115.638 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 116.01 24.07 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.67 130.3 51.12 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.487 1.04 . . . . 0.0 109.981 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.86 72.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 O-C-N 125.16 1.537 . . . . 0.0 111.861 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.64 18.86 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.02 19.6 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.791 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 21.6 60.91 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.385 2.898 . . . . 0.0 117.515 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 103.795 -2.669 . . . . 0.0 103.795 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.38 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.034 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 125.112 1.508 . . . . 0.0 110.008 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.73 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.697 3.592 . . . . 0.0 120.697 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.422 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.04 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 119.955 -1.909 . . . . 0.0 108.009 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.54 11.67 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.2 79.16 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.81 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.133 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.25 70.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.485 1.136 . . . . 0.0 110.72 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.76 51.3 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.941 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.82 45.39 18.67 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.572 1.987 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.039 0 CA-C-O 115.124 -2.369 . . . . 0.0 106.164 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.56 8.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 126.119 2.137 . . . . 0.0 109.539 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 12.0 mtpt -54.73 143.03 26.51 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.222 1.487 . . . . 0.0 109.262 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.67 52.07 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 118.294 -0.86 . . . . 0.0 108.68 175.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.752 -2.547 . . . . 0.0 105.724 174.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.47 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.891 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.546 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.171 0.51 . . . . 0.0 109.852 178.446 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.592 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -125.42 152.37 44.94 Favored 'General case' 0 C--O 1.272 2.263 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.515 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -137.25 127.11 25.64 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.794 1.934 . . . . 0.0 109.839 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -88.53 128.26 35.55 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.809 -1.541 . . . . 0.0 108.828 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.52 -176.16 49.57 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.115 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.406 0 CA-C-O 116.389 -2.339 . . . . 0.0 108.403 179.291 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 126.956 2.66 . . . . 0.0 108.949 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.517 4.886 . . . . 0.0 108.794 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.499 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.44 41.22 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.384 4.177 . . . . 0.0 108.012 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.368 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.95 49.64 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.014 0.821 . . . . 0.0 112.604 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 115.8 -2.36 . . . . 0.0 111.993 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.116 -1.615 . . . . 0.0 116.085 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.06 34.41 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.72 55.3 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 126.65 2.469 . . . . 0.0 106.013 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.584 3.053 . . . . 0.0 109.037 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.75 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.233 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.407 -2.235 . . . . 0.0 108.452 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.26 44.57 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.153 4.033 . . . . 0.0 103.608 173.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.65 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 O-C-N 127.694 3.121 . . . . 0.0 111.229 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 112.148 -2.297 . . . . 0.0 106.28 174.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.47 39.34 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.567 2.178 . . . . 0.0 111.915 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.17 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.903 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.367 -1.733 . . . . 0.0 109.877 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.49 21.21 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.25 77.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.178 2.799 . . . . 0.0 110.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.337 -0.852 . . . . 0.0 110.704 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.43 87.02 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.36 1.064 . . . . 0.0 111.537 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.45 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.089 1.493 . . . . 0.0 109.34 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.789 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.07 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.407 -1.433 . . . . 0.0 110.834 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.38 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 125.477 2.561 . . . . 0.0 109.0 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.72 66.57 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.718 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.44 17.92 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.3 8.1 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 123.076 2.671 . . . . 0.0 113.96 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.32 90.17 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.89 2.316 . . . . 0.0 118.89 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.66 124.83 83.45 Favored Pre-proline 0 C--O 1.243 0.755 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.206 2.604 . . . . 0.0 110.889 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.67 Favored 'Trans proline' 0 C--O 1.262 1.683 0 O-C-N 122.888 0.941 . . . . 0.0 113.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.56 63.62 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 119.969 -1.707 . . . . 0.0 112.242 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.92 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.531 -1.356 . . . . 0.0 112.045 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.64 34.8 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.336 2.017 . . . . 0.0 115.647 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.94 23.96 Favored 'General case' 0 C--O 1.297 3.571 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 172.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.499 1.045 . . . . 0.0 109.986 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.05 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 O-C-N 125.183 1.552 . . . . 0.0 111.9 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.87 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.07 19.4 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.249 -2.25 . . . . 0.0 110.804 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.364 2.888 . . . . 0.0 117.511 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.6 46.42 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.29 34.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 103.789 -2.671 . . . . 0.0 103.789 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.31 37.44 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.045 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 140.0 36.67 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.025 1.453 . . . . 0.0 109.971 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.14 29.43 Favored 'General case' 0 C--O 1.265 1.88 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.22 Favored Glycine 0 CA--C 1.492 -1.346 0 N-CA-C 116.076 1.19 . . . . 0.0 116.076 -177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.53 17.03 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 120.07 -1.841 . . . . 0.0 108.031 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.15 79.26 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.74 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 117.329 -1.749 . . . . 0.0 112.15 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.28 70.48 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.464 1.126 . . . . 0.0 110.701 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.69 51.5 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.946 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.4 18.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.578 1.99 . . . . 0.0 111.205 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.16 -2.352 . . . . 0.0 106.137 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.103 2.127 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.3 tttm -54.71 142.98 26.57 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.215 1.483 . . . . 0.0 109.25 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.12 10.59 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.52 34.51 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.67 52.14 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.66 19.08 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 114.689 -2.577 . . . . 0.0 105.739 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 127.399 2.937 . . . . 0.0 105.916 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.841 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.51 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.98 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.596 -2.742 . . . . 0.0 103.596 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.202 0.525 . . . . 0.0 109.808 178.497 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.446 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 82.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.24 36.76 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -114.93 115.28 26.66 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.525 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -72.73 128.23 34.91 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.753 1.908 . . . . 0.0 109.818 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -69.41 131.19 44.39 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.747 -1.569 . . . . 0.0 108.803 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.19 -179.24 52.47 Favored Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.622 -1.172 . . . . 0.0 115.097 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.358 -2.357 . . . . 0.0 108.366 179.279 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 126.956 2.66 . . . . 0.0 108.959 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.24 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 173.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.464 4.853 . . . . 0.0 108.764 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.5 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.44 41.2 Favored 'General case' 0 N--CA 1.504 2.257 1 O-C-N 129.417 4.198 . . . . 0.0 108.096 -178.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.9 49.35 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 124.067 0.854 . . . . 0.0 112.629 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.43 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.798 -2.361 . . . . 0.0 111.958 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.51 80.31 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.161 -1.587 . . . . 0.0 116.111 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.631 2.457 . . . . 0.0 105.987 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.611 3.069 . . . . 0.0 109.036 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.78 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.212 -1.795 . . . . 0.0 108.195 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.02 44.31 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.433 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.24 44.49 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.209 4.068 . . . . 0.0 103.561 173.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.65 15.72 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.671 3.107 . . . . 0.0 111.23 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.18 -2.282 . . . . 0.0 106.339 174.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 122.536 2.157 . . . . 0.0 111.96 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.895 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.55 47.45 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.88 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.189 2.806 . . . . 0.0 110.387 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.47 79.13 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.386 -0.821 . . . . 0.0 110.707 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.13 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 124.331 1.052 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.46 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.035 1.46 . . . . 0.0 109.292 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.88 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.58 0 CA-C-N 117.97 0.35 . . . . 0.0 111.239 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.28 86.91 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 120.424 -1.422 . . . . 0.0 110.755 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.49 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.57 79.37 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 125.488 2.566 . . . . 0.0 108.991 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.56 -41.66 66.71 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.754 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.45 17.93 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.34 8.09 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.118 2.69 . . . . 0.0 113.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.3 90.16 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.9 83.34 Favored Pre-proline 0 C--O 1.243 0.756 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.026 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.91 79.55 Favored 'Trans proline' 0 C--O 1.26 1.584 0 C-N-CA 123.142 2.561 . . . . 0.0 110.952 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.73 Favored 'Trans proline' 0 C--O 1.262 1.694 0 O-C-N 122.863 0.928 . . . . 0.0 113.436 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.002 -1.687 . . . . 0.0 112.226 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.465 -1.397 . . . . 0.0 112.017 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.32 2.009 . . . . 0.0 115.656 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.97 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.446 1.021 . . . . 0.0 109.952 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.16 131.84 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.149 1.531 . . . . 0.0 111.929 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.71 18.97 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 45.98 19.29 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.62 61.09 Favored Glycine 0 N--CA 1.432 -1.6 0 C-N-CA 128.313 2.863 . . . . 0.0 117.551 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.64 46.38 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.4 37.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.042 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.0 36.73 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.051 1.47 . . . . 0.0 109.98 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.21 30.09 Favored 'General case' 0 C--O 1.266 1.94 0 N-CA-C 120.675 3.583 . . . . 0.0 120.675 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.88 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.58 17.02 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.009 -1.877 . . . . 0.0 107.965 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.24 79.35 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.57 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.203 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.31 70.68 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 122.487 1.137 . . . . 0.0 110.74 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.995 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 121.555 1.98 . . . . 0.0 111.19 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.12 -2.372 . . . . 0.0 106.155 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 126.142 2.151 . . . . 0.0 109.56 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.474 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.8 143.08 26.7 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 123.194 1.473 . . . . 0.0 109.275 -176.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.15 10.67 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.948 2.573 . . . . 0.0 117.948 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.695 175.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.401 2.938 . . . . 0.0 105.88 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.79 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.475 176.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.216 0.531 . . . . 0.0 109.814 178.434 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.446 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.452 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.94 38.5 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -122.75 164.31 18.55 Favored 'General case' 0 C--O 1.273 2.302 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.512 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 69.27 82.58 0.16 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.745 1.903 . . . . 0.0 109.823 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -64.65 -39.79 94.32 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.867 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 118.29 147.02 8.22 Favored Glycine 0 C--O 1.243 0.705 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.07 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.422 -2.321 . . . . 0.0 108.35 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.686 . . . . 0.0 108.928 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.25 49.41 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.508 4.88 . . . . 0.0 108.759 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.12 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.519 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.505 2.317 1 O-C-N 129.429 4.206 . . . . 0.0 108.049 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.37 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.092 0.87 . . . . 0.0 112.612 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.44 15.08 29.98 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.872 -2.331 . . . . 0.0 112.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.5 80.4 Favored Glycine 0 C--N 1.298 -1.566 0 O-C-N 120.094 -1.629 . . . . 0.0 116.052 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.07 34.41 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.587 2.43 . . . . 0.0 106.043 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.615 3.072 . . . . 0.0 109.068 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.197 -1.801 . . . . 0.0 108.231 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.96 44.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.431 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.27 44.59 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.204 4.065 . . . . 0.0 103.553 173.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 127.653 3.096 . . . . 0.0 111.214 -177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.52 37.7 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.13 -2.304 . . . . 0.0 106.363 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.42 39.52 Favored 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 122.512 2.141 . . . . 0.0 111.934 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.913 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.46 47.58 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.341 -1.743 . . . . 0.0 109.922 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.44 21.28 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.181 2.8 . . . . 0.0 110.361 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.49 79.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.376 -0.828 . . . . 0.0 110.747 176.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.4 87.17 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.367 1.067 . . . . 0.0 111.511 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.45 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.09 1.493 . . . . 0.0 109.292 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.12 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.015 0.371 . . . . 0.0 111.207 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.376 -1.452 . . . . 0.0 110.779 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.56 77.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.59 79.41 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 125.519 2.58 . . . . 0.0 108.97 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.73 66.41 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.737 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.42 17.93 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.37 8.1 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.825 -1.15 . . . . 0.0 111.03 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.87 79.26 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.182 2.588 . . . . 0.0 110.942 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.13 -32.22 92.73 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.871 0.932 . . . . 0.0 113.422 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.2 -15.49 63.6 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 119.902 -1.748 . . . . 0.0 112.206 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.91 -10.46 28.72 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.489 -1.382 . . . . 0.0 112.08 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 124.346 2.022 . . . . 0.0 115.613 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.9 23.85 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 172.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.28 50.94 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.504 1.047 . . . . 0.0 110.002 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.77 72.44 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.136 1.522 . . . . 0.0 111.925 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.04 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.97 19.49 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.768 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.62 61.02 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.343 2.878 . . . . 0.0 117.51 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.2 34.62 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.35 37.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.02 -175.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.79 139.93 36.77 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.115 1.51 . . . . 0.0 109.913 -177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.2 29.2 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.673 3.583 . . . . 0.0 120.673 -175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.89 85.21 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.57 17.06 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 119.993 -1.887 . . . . 0.0 108.008 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.17 79.19 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.61 70.78 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.14 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.31 70.64 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.437 1.113 . . . . 0.0 110.706 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.66 51.53 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.0 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.95 45.29 18.41 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.524 1.965 . . . . 0.0 111.204 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.21 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.149 -2.358 . . . . 0.0 106.158 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.48 8.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 126.067 2.105 . . . . 0.0 109.515 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 143.03 26.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.185 1.469 . . . . 0.0 109.242 -176.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.97 19.17 10.62 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.46 34.65 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.1 126.73 52.32 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.14 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.725 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.391 2.932 . . . . 0.0 105.885 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.503 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.88 28.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.143 0.496 . . . . 0.0 109.853 178.472 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.452 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.633 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.741 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.35 39.2 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -115.82 169.79 8.95 Favored 'General case' 0 C--O 1.273 2.312 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.519 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 75.25 113.51 0.07 Allowed 'General case' 0 C--N 1.292 -1.919 0 O-C-N 125.804 1.94 . . . . 0.0 109.826 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -139.55 22.35 2.52 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 113.764 -1.562 . . . . 0.0 108.85 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.513 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -159.93 176.46 36.65 Favored Glycine 0 C--O 1.244 0.735 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.073 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.456 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.388 179.133 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.015 2.697 . . . . 0.0 108.959 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.511 2.616 1 O-C-N 130.409 4.818 . . . . 0.0 108.788 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.539 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.51 41.23 Favored 'General case' 0 N--CA 1.505 2.304 1 O-C-N 129.394 4.183 . . . . 0.0 108.019 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.17 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 124.063 0.852 . . . . 0.0 112.581 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.02 30.18 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.83 -2.348 . . . . 0.0 111.955 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.51 80.34 Favored Glycine 0 C--N 1.297 -1.593 0 O-C-N 120.089 -1.632 . . . . 0.0 116.144 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.1 34.38 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.77 55.32 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.553 2.408 . . . . 0.0 106.031 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 127.559 3.037 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.71 36.75 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.27 -1.772 . . . . 0.0 108.169 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.03 44.11 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.355 -2.259 . . . . 0.0 108.438 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.27 44.6 Favored 'General case' 0 N--CA 1.498 1.973 1 O-C-N 129.205 4.066 . . . . 0.0 103.601 173.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.6 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.689 3.118 . . . . 0.0 111.204 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.92 144.49 37.55 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.327 174.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.44 39.25 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 122.532 2.155 . . . . 0.0 111.937 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.09 59.13 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.867 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.49 47.42 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.35 -1.74 . . . . 0.0 109.865 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.37 21.29 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.25 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.206 2.816 . . . . 0.0 110.385 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.06 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.362 -0.836 . . . . 0.0 110.729 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.44 86.96 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 111.484 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.45 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 125.072 1.482 . . . . 0.0 109.258 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.98 86.94 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.999 0.363 . . . . 0.0 111.189 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 120.406 -1.433 . . . . 0.0 110.781 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.4 77.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.62 79.15 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.467 2.556 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.51 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.774 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.37 17.95 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.118 2.69 . . . . 0.0 113.926 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.33 90.14 Favored Glycine 0 CA--C 1.477 -2.286 0 N-CA-C 118.932 2.333 . . . . 0.0 118.932 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.992 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.9 79.46 Favored 'Trans proline' 0 C--O 1.26 1.605 0 C-N-CA 123.155 2.57 . . . . 0.0 110.901 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.14 92.67 Favored 'Trans proline' 0 C--O 1.262 1.695 0 O-C-N 122.861 0.927 . . . . 0.0 113.429 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.58 63.64 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.965 -1.709 . . . . 0.0 112.212 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.45 28.98 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.529 -1.357 . . . . 0.0 112.061 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.87 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.327 2.013 . . . . 0.0 115.654 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.97 23.96 Favored 'General case' 0 C--O 1.296 3.537 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.07 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.494 1.043 . . . . 0.0 109.955 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.75 72.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 125.21 1.568 . . . . 0.0 111.925 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.05 46.04 19.33 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.775 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.95 Favored Glycine 0 N--CA 1.433 -1.553 0 C-N-CA 128.34 2.876 . . . . 0.0 117.5 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.03 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.044 1.465 . . . . 0.0 109.955 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.28 29.46 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.92 85.24 Favored Glycine 0 CA--C 1.492 -1.386 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.14 0 O-C-N 119.956 -1.908 . . . . 0.0 108.012 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.56 11.67 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.16 79.1 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.168 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.36 70.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.476 1.131 . . . . 0.0 110.698 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.65 51.51 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.651 -1.166 . . . . 0.0 112.972 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.4 18.44 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.588 1.994 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 CA-C-O 115.173 -2.346 . . . . 0.0 106.171 175.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.099 2.124 . . . . 0.0 109.502 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 11.9 ttpt -54.78 143.02 26.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.2 1.476 . . . . 0.0 109.271 -176.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.17 10.61 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.51 34.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.71 52.2 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.687 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.68 19.05 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.738 -2.554 . . . . 0.0 105.727 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.424 2.953 . . . . 0.0 105.905 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.77 30.76 Favored 'General case' 0 C--O 1.281 2.757 0 CA-C-O 117.625 -1.179 . . . . 0.0 111.472 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.07 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.212 0.53 . . . . 0.0 109.83 178.432 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.633 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.741 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.529 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -128.09 104.29 7.69 Favored 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.402 -3.19 . . . . 0.0 105.512 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -67.15 132.38 47.7 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 125.808 1.942 . . . . 0.0 109.83 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -66.26 146.61 54.41 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.884 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.63 140.64 15.14 Favored Glycine 0 C--O 1.244 0.737 0 CA-C-N 114.635 -1.166 . . . . 0.0 115.074 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.475 0 CA-C-O 116.352 -2.36 . . . . 0.0 108.359 179.265 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 126.961 2.663 . . . . 0.0 108.944 178.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.632 1 O-C-N 130.436 4.835 . . . . 0.0 108.786 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-O 113.455 -3.164 . . . . 0.0 105.499 175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.2 Favored 'General case' 0 N--CA 1.504 2.256 1 O-C-N 129.35 4.156 . . . . 0.0 108.081 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.72 8.41 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.01 49.91 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.992 0.808 . . . . 0.0 112.577 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.98 30.26 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.789 -2.364 . . . . 0.0 111.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.33 Favored Glycine 0 C--N 1.297 -1.589 0 O-C-N 120.102 -1.624 . . . . 0.0 116.133 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.0 34.54 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.79 55.38 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.543 2.402 . . . . 0.0 105.991 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.53 142.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.608 3.068 . . . . 0.0 109.064 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.81 36.61 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.224 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.289 -2.291 . . . . 0.0 108.472 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.25 44.52 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.244 4.09 . . . . 0.0 103.565 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 O-C-N 127.708 3.13 . . . . 0.0 111.201 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.04 144.47 37.71 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.145 -2.298 . . . . 0.0 106.314 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.36 39.23 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.571 2.181 . . . . 0.0 111.978 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.14 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.88 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.49 47.57 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.878 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.37 21.23 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.17 -37.33 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 O-C-N 127.223 2.827 . . . . 0.0 110.372 175.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.44 79.1 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.295 -0.878 . . . . 0.0 110.727 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.51 87.03 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 124.323 1.049 . . . . 0.0 111.525 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 125.117 1.511 . . . . 0.0 109.331 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.98 83.86 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.22 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.987 0.358 . . . . 0.0 111.199 176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 120.41 -1.431 . . . . 0.0 110.797 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.56 79.41 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.494 2.569 . . . . 0.0 108.992 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.688 -1.597 . . . . 0.0 111.787 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.38 17.96 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.08 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 123.079 2.672 . . . . 0.0 113.972 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.284 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.83 83.37 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.02 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.29 Favored 'Trans proline' 0 C--O 1.259 1.57 0 C-N-CA 123.177 2.584 . . . . 0.0 110.919 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.12 92.55 Favored 'Trans proline' 0 C--O 1.262 1.713 0 C-N-CA 120.694 0.929 . . . . 0.0 113.381 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.52 63.61 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.965 -1.71 . . . . 0.0 112.175 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.477 -1.39 . . . . 0.0 112.04 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.271 1.986 . . . . 0.0 115.616 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.89 23.88 Favored 'General case' 0 C--O 1.295 3.483 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.28 50.91 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.434 1.015 . . . . 0.0 109.935 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.163 1.54 . . . . 0.0 111.898 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.68 18.92 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 112.225 -2.262 . . . . 0.0 110.78 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.57 61.01 Favored Glycine 0 N--CA 1.433 -1.534 0 C-N-CA 128.368 2.89 . . . . 0.0 117.488 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.67 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 174.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.028 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.75 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.051 1.469 . . . . 0.0 109.974 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.89 Favored 'General case' 0 C--O 1.265 1.887 0 N-CA-C 120.68 3.585 . . . . 0.0 120.68 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.24 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.014 -1.874 . . . . 0.0 107.951 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.27 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.319 -1.752 . . . . 0.0 112.136 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.27 70.66 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 122.481 1.134 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.75 51.31 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.987 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 121.552 1.978 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.151 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.51 8.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 126.061 2.1 . . . . 0.0 109.531 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -54.79 143.05 26.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.227 1.489 . . . . 0.0 109.256 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.2 10.65 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.691 -2.576 . . . . 0.0 105.732 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.204 0 O-C-N 127.466 2.979 . . . . 0.0 105.87 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.835 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.508 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.96 28.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.225 0.535 . . . . 0.0 109.849 178.419 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.529 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.69 36.18 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -120.69 128.18 52.73 Favored 'General case' 0 C--O 1.272 2.286 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.53 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -92.97 -176.15 4.1 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 125.796 1.935 . . . . 0.0 109.8 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.06 163.86 34.89 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 113.777 -1.556 . . . . 0.0 108.828 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.42 161.11 25.28 Favored Glycine 0 C--O 1.242 0.653 0 CA-C-N 114.681 -1.145 . . . . 0.0 115.086 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.401 0 CA-C-O 116.418 -2.323 . . . . 0.0 108.36 179.237 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 126.989 2.681 . . . . 0.0 108.93 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.05 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.21 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.436 4.835 . . . . 0.0 108.793 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.24 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.479 175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.5 41.24 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.453 4.221 . . . . 0.0 108.036 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.811 -1.09 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.57 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.069 0.856 . . . . 0.0 112.591 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.25 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.819 -2.352 . . . . 0.0 112.051 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.52 80.36 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.148 -1.595 . . . . 0.0 116.196 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 126.649 2.468 . . . . 0.0 106.048 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.96 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 127.534 3.021 . . . . 0.0 109.058 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.221 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 115.348 -2.263 . . . . 0.0 108.414 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.42 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.255 4.097 . . . . 0.0 103.561 174.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.229 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.73 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.155 -2.293 . . . . 0.0 106.357 174.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.538 2.159 . . . . 0.0 111.975 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.888 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.878 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.4 21.27 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.31 77.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.132 2.77 . . . . 0.0 110.331 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.36 -0.838 . . . . 0.0 110.736 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.46 86.84 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 124.346 1.059 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.48 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.093 1.496 . . . . 0.0 109.318 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.96 83.67 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.762 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.1 87.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 118.027 0.376 . . . . 0.0 111.264 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.383 -1.448 . . . . 0.0 110.816 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.42 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.28 -48.57 79.32 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.473 2.559 . . . . 0.0 108.985 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.72 66.52 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.767 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.95 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.4 8.09 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.127 2.694 . . . . 0.0 113.952 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.79 83.48 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.83 -1.148 . . . . 0.0 110.999 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.5 Favored 'Trans proline' 0 C--O 1.259 1.564 0 C-N-CA 123.109 2.539 . . . . 0.0 110.933 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.1 92.59 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 120.703 0.936 . . . . 0.0 113.384 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 120.004 -1.685 . . . . 0.0 112.204 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.9 -10.43 28.81 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.52 -1.363 . . . . 0.0 112.005 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.344 2.021 . . . . 0.0 115.657 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.53 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.437 1.017 . . . . 0.0 109.974 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.142 1.526 . . . . 0.0 111.9 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.64 18.9 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.52 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.817 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.52 61.0 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.354 2.883 . . . . 0.0 117.511 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 174.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.788 -1.101 . . . . 0.0 109.988 -175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.73 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.062 1.476 . . . . 0.0 109.949 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.17 29.32 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.89 85.19 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.53 17.07 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 119.989 -1.889 . . . . 0.0 107.975 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.63 11.61 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.27 79.42 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.311 -1.756 . . . . 0.0 112.205 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.34 70.53 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.494 1.14 . . . . 0.0 110.712 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.67 51.43 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 117.672 -1.156 . . . . 0.0 112.964 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.43 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.559 1.981 . . . . 0.0 111.162 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.37 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.164 -2.35 . . . . 0.0 106.208 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 0.0 109.517 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.416 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 22.1 pttp -54.73 143.02 26.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.21 1.481 . . . . 0.0 109.236 -176.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.14 10.61 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 118.272 -0.871 . . . . 0.0 108.679 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.61 19.16 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.709 -2.567 . . . . 0.0 105.715 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 127.397 2.936 . . . . 0.0 105.865 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.501 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 175.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.491 . . . . 0.0 109.877 178.439 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.485 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.72 34.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -49.06 -23.19 1.09 Allowed 'General case' 0 C--O 1.272 2.265 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.492 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 75.53 64.94 0.06 Allowed 'General case' 0 C--N 1.293 -1.88 0 O-C-N 125.809 1.943 . . . . 0.0 109.853 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 66.9 158.06 0.12 Allowed 'General case' 0 C--O 1.245 0.833 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.812 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.54 178.36 37.15 Favored Glycine 0 C--O 1.244 0.739 0 CA-C-N 114.662 -1.154 . . . . 0.0 115.041 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.451 0 CA-C-O 116.396 -2.336 . . . . 0.0 108.4 179.272 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 126.991 2.682 . . . . 0.0 108.901 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.14 49.53 Favored 'General case' 0 N--CA 1.512 2.674 1 O-C-N 130.478 4.861 . . . . 0.0 108.749 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-O 113.419 -3.182 . . . . 0.0 105.514 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.06 127.52 41.18 Favored 'General case' 0 N--CA 1.505 2.277 1 O-C-N 129.379 4.175 . . . . 0.0 108.007 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.59 170.71 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.839 -1.076 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.44 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.028 0.83 . . . . 0.0 112.592 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.832 -2.347 . . . . 0.0 111.947 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.48 80.39 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.182 -1.574 . . . . 0.0 116.116 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.82 55.32 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.613 2.445 . . . . 0.0 106.0 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.96 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.596 3.06 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.76 36.71 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.211 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.01 44.17 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.406 -2.235 . . . . 0.0 108.463 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.57 Favored 'General case' 0 N--CA 1.5 2.033 1 O-C-N 129.167 4.042 . . . . 0.0 103.572 174.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.62 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.195 0 O-C-N 127.698 3.124 . . . . 0.0 111.22 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.5 37.69 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 112.183 -2.28 . . . . 0.0 106.316 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.5 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 122.566 2.178 . . . . 0.0 112.013 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.82 -8.17 59.12 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.87 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.898 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 127.185 2.803 . . . . 0.0 110.365 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.47 79.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.354 -0.841 . . . . 0.0 110.735 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.03 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.342 1.057 . . . . 0.0 111.474 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 125.059 1.474 . . . . 0.0 109.329 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.97 83.65 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.29 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-N 118.006 0.366 . . . . 0.0 111.201 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.385 0 O-C-N 120.363 -1.461 . . . . 0.0 110.796 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.54 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.16 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.512 2.577 . . . . 0.0 109.031 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.71 66.45 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.77 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.09 2.677 . . . . 0.0 113.959 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.46 90.1 Favored Glycine 0 CA--C 1.478 -2.261 0 N-CA-C 118.849 2.299 . . . . 0.0 118.849 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.042 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.89 79.31 Favored 'Trans proline' 0 C--O 1.259 1.554 0 C-N-CA 123.097 2.531 . . . . 0.0 110.914 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.17 -32.19 92.71 Favored 'Trans proline' 0 C--O 1.261 1.665 0 C-N-CA 120.684 0.923 . . . . 0.0 113.486 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 119.976 -1.702 . . . . 0.0 112.237 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.78 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.474 -1.392 . . . . 0.0 112.052 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.7 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.624 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.19 115.96 24.02 Favored 'General case' 0 C--O 1.296 3.522 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.25 51.02 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.48 1.036 . . . . 0.0 109.99 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.89 72.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.115 1.51 . . . . 0.0 111.893 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.31 129.66 18.85 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.01 19.38 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.783 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.53 61.07 Favored Glycine 0 N--CA 1.432 -1.568 0 C-N-CA 128.335 2.874 . . . . 0.0 117.519 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.568 0 N-CA-C 103.773 -2.677 . . . . 0.0 103.773 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.35 37.43 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.007 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 139.99 36.7 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 125.025 1.453 . . . . 0.0 109.955 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.21 29.7 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.89 85.24 Favored Glycine 0 CA--C 1.492 -1.404 0 N-CA-C 116.111 1.204 . . . . 0.0 116.111 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.6 16.98 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.99 -1.888 . . . . 0.0 108.003 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.23 79.41 Favored 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.268 2.063 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.158 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.29 70.49 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.415 1.102 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.71 51.37 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.35 18.55 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 121.574 1.988 . . . . 0.0 111.216 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.47 30.41 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 CA-C-O 115.136 -2.364 . . . . 0.0 106.19 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.047 2.092 . . . . 0.0 109.482 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.583 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.197 1.475 . . . . 0.0 109.299 -176.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.668 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 114.679 -2.582 . . . . 0.0 105.733 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.77 46.42 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 127.451 2.97 . . . . 0.0 105.874 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.463 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 175.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.147 0.499 . . . . 0.0 109.842 178.445 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.21 38.14 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -93.42 -57.33 2.63 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.484 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 68.9 133.81 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.896 0 O-C-N 125.826 1.954 . . . . 0.0 109.881 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -153.45 166.08 33.8 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.825 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.84 -90.56 2.14 Favored Glycine 0 C--O 1.243 0.691 0 CA-C-N 114.653 -1.158 . . . . 0.0 115.054 -179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.391 -2.338 . . . . 0.0 108.403 179.295 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.26 31.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 127.006 2.691 . . . . 0.0 108.909 178.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 173.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.456 4.847 . . . . 0.0 108.807 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 113.428 -3.177 . . . . 0.0 105.531 175.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.387 4.179 . . . . 0.0 108.072 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.325 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.77 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.078 0.861 . . . . 0.0 112.581 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 115.771 -2.372 . . . . 0.0 111.948 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.622 0 O-C-N 120.127 -1.608 . . . . 0.0 116.135 179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.582 2.426 . . . . 0.0 106.025 176.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.547 3.029 . . . . 0.0 109.069 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.82 36.62 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.289 -1.764 . . . . 0.0 108.215 178.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.425 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.27 44.61 Favored 'General case' 0 N--CA 1.499 2.021 1 O-C-N 129.209 4.068 . . . . 0.0 103.542 174.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.59 15.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.675 3.109 . . . . 0.0 111.194 -177.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.55 37.7 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.282 174.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.47 39.61 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 122.585 2.19 . . . . 0.0 111.961 177.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.873 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.49 47.52 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.876 -179.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.43 21.26 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.171 2.794 . . . . 0.0 110.376 175.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.327 -0.858 . . . . 0.0 110.691 177.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.43 86.88 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.35 1.06 . . . . 0.0 111.492 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.016 1.447 . . . . 0.0 109.299 178.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.93 83.62 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.05 87.11 Favored 'General case' 0 C--O 1.279 2.606 0 CA-C-N 117.998 0.363 . . . . 0.0 111.241 176.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.32 87.04 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.38 -1.45 . . . . 0.0 110.784 176.044 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.4 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.476 2.56 . . . . 0.0 109.012 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.7 66.67 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.719 179.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.656 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.169 2.713 . . . . 0.0 113.941 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.31 0 N-CA-C 118.881 2.312 . . . . 0.0 118.881 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.88 83.4 Favored Pre-proline 0 C--O 1.244 0.772 0 C-N-CA 118.827 -1.149 . . . . 0.0 111.011 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.94 79.68 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.119 2.546 . . . . 0.0 110.952 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.13 92.69 Favored 'Trans proline' 0 C--O 1.262 1.699 0 C-N-CA 120.687 0.925 . . . . 0.0 113.43 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.978 -1.702 . . . . 0.0 112.217 -177.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.56 28.66 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 120.495 -1.378 . . . . 0.0 112.011 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.303 2.002 . . . . 0.0 115.643 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.525 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 172.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.25 51.04 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.455 1.025 . . . . 0.0 109.961 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.153 1.533 . . . . 0.0 111.904 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.52 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.22 -2.264 . . . . 0.0 110.789 177.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.58 61.03 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.375 2.893 . . . . 0.0 117.503 -179.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.594 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.018 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.02 36.74 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.067 1.48 . . . . 0.0 109.922 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.2 29.84 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.724 3.601 . . . . 0.0 120.724 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -177.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.56 17.07 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.015 -1.873 . . . . 0.0 108.017 176.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.49 164.55 11.67 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.127 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.56 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.454 1.121 . . . . 0.0 110.737 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.46 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.994 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.5 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.586 1.994 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.36 30.18 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.111 -2.376 . . . . 0.0 106.235 175.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.08 2.112 . . . . 0.0 109.522 -176.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.413 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.79 143.05 26.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.215 1.484 . . . . 0.0 109.251 -176.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.12 10.61 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 117.917 2.562 . . . . 0.0 117.917 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.54 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.75 52.29 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 175.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.66 19.08 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.731 174.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.67 135.83 46.37 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 127.481 2.988 . . . . 0.0 105.877 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.86 30.91 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.512 176.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.93 28.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.167 0.508 . . . . 0.0 109.837 178.457 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.453 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.538 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.84 31.66 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . 117.39 125.97 0.0 OUTLIER 'General case' 0 C--O 1.272 2.267 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.513 -179.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -164.11 112.78 1.17 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.793 1.933 . . . . 0.0 109.835 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . 55.78 159.89 0.01 OUTLIER 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.805 -179.353 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 165.04 -169.16 39.54 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.583 -1.189 . . . . 0.0 115.066 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.435 0 CA-C-O 116.348 -2.362 . . . . 0.0 108.412 179.26 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 127.008 2.692 . . . . 0.0 108.866 178.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 173.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.471 4.857 . . . . 0.0 108.806 179.59 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.01 114.21 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.487 175.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.48 41.2 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.388 4.18 . . . . 0.0 108.058 -178.157 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.84 -1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.37 -6.99 49.76 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 112.599 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.799 -2.36 . . . . 0.0 112.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.5 80.32 Favored Glycine 0 C--N 1.298 -1.576 0 O-C-N 120.146 -1.596 . . . . 0.0 116.121 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.04 34.43 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 174.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.81 55.37 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 126.587 2.429 . . . . 0.0 106.009 176.157 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.04 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 127.577 3.048 . . . . 0.0 109.037 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.75 36.74 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.192 178.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.01 44.21 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.44 -179.194 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.38 Favored 'General case' 0 N--CA 1.498 1.957 1 O-C-N 129.186 4.054 . . . . 0.0 103.597 173.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 O-C-N 127.657 3.098 . . . . 0.0 111.187 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.71 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.321 174.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.45 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.572 2.182 . . . . 0.0 111.932 177.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.12 59.12 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.899 -177.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.843 -179.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.44 21.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.173 2.796 . . . . 0.0 110.346 175.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.4 78.93 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.317 -0.865 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.52 -44.51 86.7 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.325 1.05 . . . . 0.0 111.523 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.45 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 125.075 1.484 . . . . 0.0 109.299 178.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.92 83.67 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.787 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.99 86.94 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 118.027 0.376 . . . . 0.0 111.209 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 120.383 -1.448 . . . . 0.0 110.788 176.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.6 79.29 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.511 2.576 . . . . 0.0 109.028 179.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.77 66.46 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.642 -1.617 . . . . 0.0 111.758 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.44 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -175.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.49 -6.4 8.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.125 2.693 . . . . 0.0 113.984 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.4 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.828 2.291 . . . . 0.0 118.828 176.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.84 83.28 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.036 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.9 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.15 2.567 . . . . 0.0 110.894 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.65 Favored 'Trans proline' 0 C--O 1.262 1.711 0 O-C-N 122.862 0.927 . . . . 0.0 113.413 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.54 63.61 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 119.961 -1.712 . . . . 0.0 112.205 -177.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.45 28.89 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.451 -1.406 . . . . 0.0 111.989 178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.322 2.01 . . . . 0.0 115.638 -177.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.441 1.019 . . . . 0.0 109.933 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 O-C-N 125.16 1.537 . . . . 0.0 111.882 -177.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.04 19.44 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.264 -2.244 . . . . 0.0 110.785 177.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.55 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.34 2.876 . . . . 0.0 117.522 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.4 37.47 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.026 -175.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.71 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.061 1.475 . . . . 0.0 109.972 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.26 -42.21 29.95 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.696 3.591 . . . . 0.0 120.696 -175.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.86 85.25 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.104 1.201 . . . . 0.0 116.104 -177.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 119.986 -1.891 . . . . 0.0 107.946 176.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.157 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.28 -36.19 79.38 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.342 -1.743 . . . . 0.0 112.149 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.54 -39.38 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.388 1.089 . . . . 0.0 110.641 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.73 51.29 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.989 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.33 18.52 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.557 1.98 . . . . 0.0 111.168 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.075 0 CA-C-O 115.142 -2.361 . . . . 0.0 106.137 175.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.084 2.115 . . . . 0.0 109.552 -176.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 0.5 OUTLIER -54.71 143.06 26.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 123.257 1.503 . . . . 0.0 109.28 -176.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.85 19.2 10.68 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.46 34.68 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.7 52.19 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.748 174.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 127.388 2.93 . . . . 0.0 105.862 177.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.571 -1.204 . . . . 0.0 111.507 176.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.187 0.518 . . . . 0.0 109.866 178.394 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.538 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.07 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -122.72 139.56 53.84 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.449 -179.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -90.82 3.24 54.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 125.763 1.914 . . . . 0.0 109.806 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' GLY . . . 60.63 -75.69 0.03 OUTLIER 'General case' 0 C--O 1.246 0.896 0 CA-C-N 113.795 -1.548 . . . . 0.0 108.848 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 126.44 -173.17 18.08 Favored Glycine 0 C--O 1.243 0.695 0 CA-C-N 114.671 -1.149 . . . . 0.0 115.088 -179.354 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.413 0 CA-C-O 116.416 -2.324 . . . . 0.0 108.382 179.18 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.01 138.31 31.7 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.972 2.67 . . . . 0.0 108.921 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.443 4.839 . . . . 0.0 108.773 179.561 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.16 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.514 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.53 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.386 4.179 . . . . 0.0 108.025 -178.136 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.74 8.39 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.62 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.994 0.809 . . . . 0.0 112.597 -177.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.05 30.06 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.802 -2.359 . . . . 0.0 112.011 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.099 -1.625 . . . . 0.0 116.122 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.05 34.48 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.74 55.36 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.637 2.461 . . . . 0.0 106.04 176.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 127.552 3.032 . . . . 0.0 109.003 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.74 36.68 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.317 -1.753 . . . . 0.0 108.217 178.12 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.03 44.24 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.436 -179.198 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.02 1 O-C-N 129.196 4.06 . . . . 0.0 103.548 173.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.63 15.72 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.668 3.105 . . . . 0.0 111.215 -177.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.345 174.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.48 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 122.562 2.174 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.843 -177.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.344 -1.743 . . . . 0.0 109.858 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.4 21.23 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 127.198 2.811 . . . . 0.0 110.362 175.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.401 -0.812 . . . . 0.0 110.724 177.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.48 86.87 Favored 'General case' 0 C--O 1.248 0.999 0 C-N-CA 124.307 1.043 . . . . 0.0 111.549 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.47 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.051 1.47 . . . . 0.0 109.329 178.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -38.0 83.86 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.791 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.97 87.0 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 118.021 0.373 . . . . 0.0 111.248 176.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.35 -37.3 87.03 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 120.377 -1.452 . . . . 0.0 110.81 176.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.56 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.54 79.6 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.579 2.609 . . . . 0.0 109.003 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.68 66.67 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.705 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.44 17.94 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 123.113 2.688 . . . . 0.0 113.962 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.36 90.14 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.78 -1.168 . . . . 0.0 111.066 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.92 79.57 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.121 2.548 . . . . 0.0 110.898 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 122.878 0.936 . . . . 0.0 113.448 -179.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.32 -15.51 63.59 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 119.983 -1.698 . . . . 0.0 112.216 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.42 28.96 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.504 -1.372 . . . . 0.0 112.047 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.72 34.77 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.289 1.995 . . . . 0.0 115.609 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 24.0 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.63 130.27 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.483 1.038 . . . . 0.0 109.952 -177.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 O-C-N 125.177 1.548 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.7 18.94 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.07 19.24 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 112.259 -2.246 . . . . 0.0 110.797 177.402 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.52 60.93 Favored Glycine 0 N--CA 1.432 -1.585 0 C-N-CA 128.324 2.869 . . . . 0.0 117.474 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.27 34.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.024 -175.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.0 36.74 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.042 1.463 . . . . 0.0 109.924 -177.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.23 29.1 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.26 Favored Glycine 0 CA--C 1.492 -1.38 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 -177.315 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.003 -1.881 . . . . 0.0 107.996 176.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.22 79.34 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.175 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.23 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.455 1.121 . . . . 0.0 110.747 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.64 51.55 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.977 179.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.38 18.51 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 121.521 1.964 . . . . 0.0 111.233 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.45 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.006 0 CA-C-O 115.166 -2.35 . . . . 0.0 106.135 175.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 126.106 2.129 . . . . 0.0 109.482 -176.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -54.77 143.02 26.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.221 1.486 . . . . 0.0 109.273 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.21 10.65 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 117.951 2.574 . . . . 0.0 117.951 179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.53 34.56 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 118.275 -0.869 . . . . 0.0 108.688 175.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.61 19.15 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.721 175.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.43 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.352 2.908 . . . . 0.0 105.883 177.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.283 2.863 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.533 176.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.234 0.54 . . . . 0.0 109.787 178.487 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.433 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 ' H ' ' H41' ' A' ' 101' ' ' MTN . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.486 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.25 32.51 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' C ' ' N ' ' A' ' 74' ' ' ARG . . . -130.12 130.97 45.47 Favored 'General case' 0 C--O 1.272 2.251 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.45 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -62.16 -41.47 98.33 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.828 1.955 . . . . 0.0 109.838 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 72' ' ' ARG . . . 43.83 69.05 0.44 Allowed 'General case' 0 C--O 1.246 0.882 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.852 -179.359 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.63 177.85 45.8 Favored Glycine 0 C--O 1.243 0.718 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.067 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 CA-C-O 116.432 -2.316 . . . . 0.0 108.388 179.369 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 127.009 2.693 . . . . 0.0 108.921 178.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 173.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.23 49.46 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.472 4.857 . . . . 0.0 108.773 179.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-O 113.429 -3.177 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.49 41.2 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.396 4.185 . . . . 0.0 108.034 -178.162 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.79 8.35 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.829 -1.082 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.98 49.85 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.036 0.835 . . . . 0.0 112.575 -177.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.31 14.97 30.3 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 115.844 -2.342 . . . . 0.0 112.02 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.37 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.171 -1.58 . . . . 0.0 116.077 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.09 34.35 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.96 131.76 55.29 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.616 2.447 . . . . 0.0 106.01 176.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.04 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.042 . . . . 0.0 109.055 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.81 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 117.262 -1.775 . . . . 0.0 108.236 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.04 44.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 115.352 -2.261 . . . . 0.0 108.429 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.38 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.233 4.083 . . . . 0.0 103.539 174.01 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.66 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.717 3.136 . . . . 0.0 111.191 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.78 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.303 174.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.04 -24.35 39.66 Favored 'Trans proline' 0 C--N 1.319 -0.98 0 C-N-CA 122.513 2.142 . . . . 0.0 111.971 177.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.94 -8.12 59.15 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.901 -177.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.54 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.304 -1.759 . . . . 0.0 109.883 -179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.28 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 127.244 2.84 . . . . 0.0 110.328 175.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.43 79.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.393 -0.817 . . . . 0.0 110.751 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.48 86.95 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 124.324 1.05 . . . . 0.0 111.5 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.48 88.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 125.006 1.441 . . . . 0.0 109.335 178.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.03 83.82 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.731 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.24 Favored 'General case' 0 C--O 1.279 2.611 0 CA-C-N 118.025 0.375 . . . . 0.0 111.196 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.19 -37.42 87.41 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.415 -1.428 . . . . 0.0 110.802 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.48 77.57 Favored 'Isoleucine or valine' 0 C--O 1.253 1.239 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.26 -48.54 79.48 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 125.494 2.569 . . . . 0.0 108.996 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.7 66.57 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.745 179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.41 17.95 Favored 'General case' 0 C--O 1.279 2.636 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -175.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.34 8.08 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.09 2.677 . . . . 0.0 113.94 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.35 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.902 2.321 . . . . 0.0 118.902 176.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.86 83.33 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.03 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.574 0 C-N-CA 123.117 2.545 . . . . 0.0 110.91 178.269 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.09 92.52 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 122.857 0.925 . . . . 0.0 113.386 -179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.55 63.61 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 119.937 -1.727 . . . . 0.0 112.184 -177.419 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.5 28.8 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.481 -1.387 . . . . 0.0 112.066 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.267 1.984 . . . . 0.0 115.667 -177.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.93 23.93 Favored 'General case' 0 C--O 1.295 3.5 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 172.063 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.55 130.29 50.93 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 119.411 1.005 . . . . 0.0 109.978 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.168 1.543 . . . . 0.0 111.906 -177.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.89 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 46.04 19.58 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.223 -2.262 . . . . 0.0 110.752 177.365 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.335 2.874 . . . . 0.0 117.516 -179.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.34 34.59 Favored 'General case' 0 C--O 1.259 1.605 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 174.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.33 37.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.03 -175.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.72 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 125.078 1.486 . . . . 0.0 109.937 -177.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.29 29.04 Favored 'General case' 0 C--O 1.265 1.915 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -175.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.82 85.35 Favored Glycine 0 CA--C 1.492 -1.399 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.57 165.64 16.9 Favored 'General case' 0 C--O 1.251 1.135 0 O-C-N 120.001 -1.882 . . . . 0.0 108.006 176.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 177.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.15 Favored 'General case' 0 C--O 1.202 -1.405 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.134 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.32 70.6 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 122.51 1.148 . . . . 0.0 110.77 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.696 -1.145 . . . . 0.0 112.985 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.35 18.44 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 121.536 1.971 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.187 175.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.54 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.073 2.108 . . . . 0.0 109.505 -176.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -54.78 143.06 26.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.226 1.489 . . . . 0.0 109.242 -176.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.13 10.63 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.57 34.44 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 174.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.68 19.06 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.657 -2.592 . . . . 0.0 105.759 174.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.76 46.48 Favored 'General case' 0 C--N 1.285 -2.239 0 O-C-N 127.431 2.957 . . . . 0.0 105.857 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.786 0 CA-C-O 117.604 -1.188 . . . . 0.0 111.545 176.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.92 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.618 -2.734 . . . . 0.0 103.618 175.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.138 0.494 . . . . 0.0 109.865 178.459 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.486 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.472 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.544 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.05 35.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -90.42 175.12 7.21 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.493 -178.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -77.12 148.32 36.09 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.767 1.917 . . . . 0.0 109.825 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.66 -39.35 94.12 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.881 -179.333 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.36 156.46 52.27 Favored Glycine 0 C--O 1.244 0.721 0 CA-C-N 114.67 -1.15 . . . . 0.0 115.07 -179.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.423 179.203 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.26 31.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 126.981 2.675 . . . . 0.0 108.916 178.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.03 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.665 1 O-C-N 130.457 4.848 . . . . 0.0 108.794 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.24 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.52 175.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.49 41.24 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.428 4.205 . . . . 0.0 108.062 -178.171 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.8 8.35 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.0 49.94 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.106 0.879 . . . . 0.0 112.614 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 115.822 -2.351 . . . . 0.0 111.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.108 -1.62 . . . . 0.0 116.132 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.578 2.424 . . . . 0.0 106.002 176.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.96 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.571 3.045 . . . . 0.0 109.027 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.237 -1.785 . . . . 0.0 108.252 178.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.0 44.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 115.38 -2.247 . . . . 0.0 108.456 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.5 Favored 'General case' 0 N--CA 1.499 2.022 1 O-C-N 129.2 4.062 . . . . 0.0 103.575 173.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.747 3.154 . . . . 0.0 111.214 -177.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.5 37.65 Favored Pre-proline 0 C--N 1.313 -0.991 0 CA-C-N 112.176 -2.284 . . . . 0.0 106.327 174.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.48 Favored 'Trans proline' 0 C--N 1.32 -0.959 0 C-N-CA 122.565 2.176 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.2 59.16 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.913 -177.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.53 47.49 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.908 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.43 21.18 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.24 77.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 127.165 2.791 . . . . 0.0 110.374 175.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.46 79.06 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.417 -0.802 . . . . 0.0 110.784 176.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.49 86.95 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 124.331 1.052 . . . . 0.0 111.534 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.51 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.108 1.505 . . . . 0.0 109.362 178.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.94 83.63 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.06 87.26 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-N 117.974 0.352 . . . . 0.0 111.243 176.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.24 -37.35 87.18 Favored 'General case' 0 C--O 1.256 1.409 0 O-C-N 120.34 -1.475 . . . . 0.0 110.776 176.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.46 77.48 Favored 'Isoleucine or valine' 0 C--O 1.252 1.187 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.57 79.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.512 2.577 . . . . 0.0 109.035 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.77 66.58 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.765 179.14 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.643 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.5 -6.42 8.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 123.13 2.695 . . . . 0.0 114.009 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.14 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.891 2.316 . . . . 0.0 118.891 176.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.64 124.84 83.49 Favored Pre-proline 0 C--O 1.243 0.715 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.989 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.95 79.76 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.124 2.549 . . . . 0.0 110.967 178.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.29 -32.09 92.73 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.851 0.921 . . . . 0.0 113.44 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.902 -1.749 . . . . 0.0 112.175 -177.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.535 -1.353 . . . . 0.0 112.034 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.292 1.996 . . . . 0.0 115.646 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.22 50.97 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.453 1.024 . . . . 0.0 110.018 -177.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 125.127 1.517 . . . . 0.0 111.879 -177.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.66 18.9 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 177.563 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.04 19.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 112.249 -2.251 . . . . 0.0 110.739 177.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 21.55 60.94 Favored Glycine 0 N--CA 1.432 -1.583 0 C-N-CA 128.355 2.883 . . . . 0.0 117.524 -179.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 103.814 -2.662 . . . . 0.0 103.814 174.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.33 37.53 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.033 -175.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 125.02 1.45 . . . . 0.0 109.946 -177.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.14 -42.19 28.73 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.86 85.23 Favored Glycine 0 CA--C 1.491 -1.426 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 120.045 -1.856 . . . . 0.0 108.012 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.27 -36.16 79.26 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.62 70.77 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.338 -1.745 . . . . 0.0 112.139 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.34 70.48 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.455 1.121 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.7 51.35 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.703 -1.142 . . . . 0.0 112.986 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.4 18.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 121.549 1.977 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.34 Favored 'Isoleucine or valine' 0 C--O 1.267 2.024 0 CA-C-O 115.092 -2.385 . . . . 0.0 106.204 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.56 8.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 126.12 2.138 . . . . 0.0 109.488 -176.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.529 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -54.78 143.05 26.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 123.173 1.463 . . . . 0.0 109.273 -176.912 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.58 34.44 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 174.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.26 126.7 52.12 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.716 -2.564 . . . . 0.0 105.736 174.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.75 46.45 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.431 2.957 . . . . 0.0 105.874 177.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.573 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 175.193 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.194 0.521 . . . . 0.0 109.797 178.469 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.567 ' H71' ' S1 ' ' A' ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.98 38.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -173.06 -144.3 0.03 OUTLIER 'General case' 0 C--O 1.272 2.246 0 CA-C-O 113.358 -3.211 . . . . 0.0 105.489 -179.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 40.41 49.88 2.66 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 125.814 1.946 . . . . 0.0 109.845 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -92.58 131.06 38.02 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.865 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.19 156.9 53.5 Favored Glycine 0 C--O 1.243 0.709 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.07 -179.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.396 179.117 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.946 2.654 . . . . 0.0 108.956 178.328 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.0 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.27 49.4 Favored 'General case' 0 N--CA 1.512 2.64 1 O-C-N 130.463 4.852 . . . . 0.0 108.821 179.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 113.388 -3.196 . . . . 0.0 105.546 175.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.275 1 O-C-N 129.386 4.179 . . . . 0.0 108.049 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.96 49.6 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.055 0.847 . . . . 0.0 112.592 -177.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.97 30.31 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.845 -2.342 . . . . 0.0 111.952 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.44 80.36 Favored Glycine 0 C--N 1.297 -1.635 0 O-C-N 120.135 -1.603 . . . . 0.0 116.164 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.08 34.44 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 174.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 126.642 2.464 . . . . 0.0 106.047 176.147 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.638 3.086 . . . . 0.0 109.058 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.76 36.64 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.218 -1.793 . . . . 0.0 108.237 178.142 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.01 44.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.26 44.58 Favored 'General case' 0 N--CA 1.499 1.995 1 O-C-N 129.194 4.058 . . . . 0.0 103.539 173.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.63 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 O-C-N 127.697 3.123 . . . . 0.0 111.205 -177.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.46 37.62 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.171 -2.286 . . . . 0.0 106.312 174.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.35 39.37 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.524 2.149 . . . . 0.0 111.987 177.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.889 -177.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.54 47.44 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.835 -179.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.46 21.24 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.31 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.134 2.771 . . . . 0.0 110.419 175.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.51 79.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.342 -0.849 . . . . 0.0 110.763 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.49 87.18 Favored 'General case' 0 C--O 1.248 1.012 0 C-N-CA 124.306 1.042 . . . . 0.0 111.524 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.43 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 125.093 1.495 . . . . 0.0 109.322 178.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.91 Favored 'General case' 0 C--O 1.255 1.383 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.01 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.944 0.338 . . . . 0.0 111.212 176.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.424 -1.422 . . . . 0.0 110.77 176.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.49 77.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.56 79.44 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.512 2.577 . . . . 0.0 108.991 179.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.72 66.37 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.781 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.679 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.39 8.11 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.101 2.682 . . . . 0.0 113.957 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.37 90.12 Favored Glycine 0 CA--C 1.477 -2.323 0 N-CA-C 118.895 2.318 . . . . 0.0 118.895 176.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 118.843 -1.143 . . . . 0.0 111.014 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.03 136.98 79.89 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.187 2.591 . . . . 0.0 110.907 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.21 92.9 Favored 'Trans proline' 0 C--O 1.261 1.674 0 C-N-CA 120.703 0.935 . . . . 0.0 113.42 -179.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.974 -1.703 . . . . 0.0 112.202 -177.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.49 28.77 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.495 -1.378 . . . . 0.0 112.021 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.75 129.66 34.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 124.297 1.998 . . . . 0.0 115.645 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.91 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 172.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.29 50.98 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 119.467 1.031 . . . . 0.0 109.993 -177.52 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.8 72.38 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 O-C-N 125.166 1.541 . . . . 0.0 111.902 -177.495 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.66 18.96 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.786 177.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.58 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.371 2.891 . . . . 0.0 117.536 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.43 37.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 117.786 -1.102 . . . . 0.0 110.006 -175.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.73 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.063 1.477 . . . . 0.0 109.936 -177.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.23 29.91 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.662 3.578 . . . . 0.0 120.662 -175.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.3 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.61 16.98 Favored 'General case' 0 C--O 1.25 1.124 0 O-C-N 120.016 -1.873 . . . . 0.0 108.016 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.24 79.37 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 177.163 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.57 70.75 Favored 'General case' 0 C--O 1.268 2.046 0 C-N-CA 117.339 -1.744 . . . . 0.0 112.116 -179.479 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.27 70.68 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.505 1.145 . . . . 0.0 110.713 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.967 179.315 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.35 18.46 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 121.545 1.975 . . . . 0.0 111.173 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.45 30.39 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 CA-C-O 115.099 -2.381 . . . . 0.0 106.2 175.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.077 2.111 . . . . 0.0 109.51 -176.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 143.02 26.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 123.198 1.475 . . . . 0.0 109.268 -176.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.51 34.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.69 52.17 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.67 19.07 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.697 -2.573 . . . . 0.0 105.704 174.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.78 46.44 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.442 2.964 . . . . 0.0 105.871 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.809 0 CA-C-O 117.586 -1.197 . . . . 0.0 111.531 176.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.607 -2.738 . . . . 0.0 103.607 175.103 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 178.461 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.35 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -83.58 -79.39 0.2 Allowed 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.498 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 59.2 -179.84 0.08 Allowed 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.828 1.955 . . . . 0.0 109.834 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' H ' ' H ' ' A' ' 75' ' ' GLY . . . 69.55 46.25 0.74 Allowed 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.821 -179.383 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -85.65 -175.51 50.19 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 114.647 -1.161 . . . . 0.0 115.092 -179.359 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 CA-C-O 116.37 -2.35 . . . . 0.0 108.33 179.183 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.954 2.659 . . . . 0.0 108.951 178.273 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.23 49.44 Favored 'General case' 0 N--CA 1.511 2.622 1 O-C-N 130.46 4.85 . . . . 0.0 108.81 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.14 114.25 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.431 -3.176 . . . . 0.0 105.501 175.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.45 41.25 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.406 4.191 . . . . 0.0 108.042 -178.117 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.8 8.36 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.53 -6.91 49.47 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 124.061 0.851 . . . . 0.0 112.601 -177.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.803 -2.359 . . . . 0.0 112.003 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.5 80.38 Favored Glycine 0 C--N 1.298 -1.583 0 O-C-N 120.15 -1.594 . . . . 0.0 116.116 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.09 34.4 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.74 55.32 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.641 2.463 . . . . 0.0 106.028 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 127.62 3.075 . . . . 0.0 109.06 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.81 36.57 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.268 178.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.0 44.31 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 115.359 -2.257 . . . . 0.0 108.432 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.223 4.077 . . . . 0.0 103.565 174.003 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.04 170.64 15.84 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 O-C-N 127.691 3.119 . . . . 0.0 111.181 -177.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.55 37.86 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 112.133 -2.303 . . . . 0.0 106.306 174.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.533 2.155 . . . . 0.0 111.98 177.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.15 59.12 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.922 -177.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.51 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 117.353 -1.739 . . . . 0.0 109.87 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.37 21.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.17 2.794 . . . . 0.0 110.311 175.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.375 -0.828 . . . . 0.0 110.751 176.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.41 87.05 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 124.301 1.04 . . . . 0.0 111.531 -179.641 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 178.498 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.87 -37.88 83.65 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.01 86.96 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 117.987 0.358 . . . . 0.0 111.225 176.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.422 -1.424 . . . . 0.0 110.816 176.019 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.52 77.61 Favored 'Isoleucine or valine' 0 C--O 1.253 1.252 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.62 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.458 2.552 . . . . 0.0 108.973 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.74 66.49 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.694 179.189 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.47 17.96 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 -175.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 123.092 2.678 . . . . 0.0 113.947 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.34 90.13 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.838 2.295 . . . . 0.0 118.838 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.36 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.763 -1.175 . . . . 0.0 111.01 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.93 79.62 Favored 'Trans proline' 0 C--O 1.259 1.547 0 C-N-CA 123.106 2.538 . . . . 0.0 110.936 178.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.662 0 O-C-N 122.872 0.933 . . . . 0.0 113.421 -179.313 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.948 -1.72 . . . . 0.0 112.21 -177.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.44 28.86 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.527 -1.358 . . . . 0.0 112.048 178.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.88 129.77 34.76 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.308 2.004 . . . . 0.0 115.615 -177.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.98 24.0 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 172.097 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.26 51.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.443 1.02 . . . . 0.0 110.009 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.188 1.555 . . . . 0.0 111.891 -177.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.92 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.03 19.38 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.262 -2.244 . . . . 0.0 110.789 177.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.5 61.05 Favored Glycine 0 N--CA 1.432 -1.587 0 C-N-CA 128.34 2.876 . . . . 0.0 117.503 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.688 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 174.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.47 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.086 -175.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.109 1.506 . . . . 0.0 109.976 -177.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.21 29.88 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.73 3.604 . . . . 0.0 120.73 -175.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.32 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 -177.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.63 16.96 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 119.962 -1.905 . . . . 0.0 107.973 176.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.64 164.57 11.67 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.119 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.18 79.19 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.65 70.82 Favored 'General case' 0 C--O 1.268 2.028 0 C-N-CA 117.356 -1.738 . . . . 0.0 112.164 -179.441 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 122.45 1.119 . . . . 0.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.64 51.47 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.976 179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.39 18.36 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 121.543 1.974 . . . . 0.0 111.179 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.37 30.23 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.169 -2.348 . . . . 0.0 106.194 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 126.086 2.116 . . . . 0.0 109.533 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.421 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 38.9 ttpt -54.79 143.02 26.84 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.215 1.483 . . . . 0.0 109.262 -176.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.55 34.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 114.735 -2.555 . . . . 0.0 105.722 174.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.76 46.45 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 127.405 2.94 . . . . 0.0 105.871 177.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.82 30.84 Favored 'General case' 0 C--O 1.283 2.829 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.51 176.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.186 0.517 . . . . 0.0 109.846 178.389 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.43 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.725 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.7 36.16 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -84.47 -151.17 0.12 Allowed 'General case' 0 C--O 1.272 2.237 0 CA-C-O 113.381 -3.2 . . . . 0.0 105.501 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -156.8 136.06 12.06 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.841 1.963 . . . . 0.0 109.792 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 49.44 -142.25 0.6 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.903 -179.424 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -174.01 -156.58 13.8 Favored Glycine 0 C--O 1.243 0.7 0 CA-C-N 114.668 -1.151 . . . . 0.0 115.117 -179.413 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.4 0 CA-C-O 116.382 -2.343 . . . . 0.0 108.373 179.219 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 126.987 2.679 . . . . 0.0 108.964 178.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.21 162.98 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 CA-C-O 115.941 -1.98 . . . . 0.0 105.662 173.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.18 49.47 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.486 4.866 . . . . 0.0 108.816 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.484 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.52 41.27 Favored 'General case' 0 N--CA 1.504 2.235 1 O-C-N 129.366 4.166 . . . . 0.0 108.077 -178.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.54 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.049 0.843 . . . . 0.0 112.608 -177.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.06 30.03 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 115.779 -2.368 . . . . 0.0 111.967 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.619 0 O-C-N 120.144 -1.597 . . . . 0.0 116.121 179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.35 138.11 34.43 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.76 55.31 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.617 2.448 . . . . 0.0 106.034 176.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.97 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 127.609 3.068 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.249 -1.78 . . . . 0.0 108.254 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 115.315 -2.279 . . . . 0.0 108.464 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.26 4.1 . . . . 0.0 103.601 173.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.68 15.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.746 3.154 . . . . 0.0 111.188 -177.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.314 174.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.45 39.26 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.611 2.207 . . . . 0.0 111.978 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.906 -177.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.59 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.313 -1.755 . . . . 0.0 109.876 -179.063 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.43 21.27 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 127.19 2.806 . . . . 0.0 110.356 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.41 79.32 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.347 -0.845 . . . . 0.0 110.717 177.031 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.53 86.94 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 124.384 1.074 . . . . 0.0 111.48 -179.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.45 88.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 125.058 1.474 . . . . 0.0 109.266 178.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.71 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.802 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.23 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 117.94 0.336 . . . . 0.0 111.237 176.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.32 87.08 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 120.434 -1.416 . . . . 0.0 110.799 176.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.47 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.186 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.55 79.52 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.531 2.586 . . . . 0.0 108.985 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.73 66.61 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 113.644 -1.616 . . . . 0.0 111.732 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.689 0 N-CA-C 117.012 2.227 . . . . 0.0 117.012 -175.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.31 8.11 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.136 2.698 . . . . 0.0 113.963 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.478 -2.26 0 N-CA-C 118.864 2.306 . . . . 0.0 118.864 176.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.32 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.784 -1.167 . . . . 0.0 110.985 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.91 79.39 Favored 'Trans proline' 0 C--O 1.258 1.525 0 C-N-CA 123.141 2.56 . . . . 0.0 110.928 178.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.12 92.7 Favored 'Trans proline' 0 C--O 1.261 1.673 0 C-N-CA 120.678 0.919 . . . . 0.0 113.428 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 119.999 -1.688 . . . . 0.0 112.183 -177.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.51 28.78 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.463 -1.398 . . . . 0.0 112.029 178.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.318 2.008 . . . . 0.0 115.635 -177.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.98 24.01 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.907 -2.256 . . . . 0.0 104.907 172.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.28 51.06 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.461 1.028 . . . . 0.0 109.993 -177.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.85 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 O-C-N 125.154 1.534 . . . . 0.0 111.926 -177.526 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.68 18.93 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.02 19.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.736 177.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.55 61.06 Favored Glycine 0 N--CA 1.432 -1.617 0 C-N-CA 128.387 2.899 . . . . 0.0 117.526 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.67 46.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 174.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.39 37.5 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.048 -175.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.0 36.77 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.053 1.471 . . . . 0.0 109.926 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.25 29.32 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 120.703 3.594 . . . . 0.0 120.703 -175.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.367 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.61 16.99 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 120.038 -1.86 . . . . 0.0 107.985 176.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.53 11.69 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.23 79.25 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.65 70.82 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.314 -1.755 . . . . 0.0 112.16 -179.449 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.46 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.415 1.102 . . . . 0.0 110.709 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.7 51.38 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.953 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.34 18.43 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 121.558 1.981 . . . . 0.0 111.196 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.43 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.056 0 CA-C-O 115.144 -2.36 . . . . 0.0 106.21 175.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.57 8.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.099 2.124 . . . . 0.0 109.522 -176.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 18.6 ptpt -54.76 143.02 26.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.235 1.493 . . . . 0.0 109.24 -176.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.18 10.61 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 179.505 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.56 34.48 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 174.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.71 52.15 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.052 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.74 46.49 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.437 2.961 . . . . 0.0 105.89 177.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.89 Favored 'General case' 0 C--O 1.282 2.807 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.487 176.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.096 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.194 0.521 . . . . 0.0 109.827 178.453 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.725 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.38 36.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -126.01 115.27 19.62 Favored 'General case' 0 C--O 1.272 2.26 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.494 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -79.3 112.83 16.92 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.796 1.935 . . . . 0.0 109.826 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -110.13 129.78 55.65 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 113.749 -1.569 . . . . 0.0 108.856 -179.444 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.19 -173.28 33.46 Favored Glycine 0 C--O 1.243 0.661 0 CA-C-N 114.648 -1.16 . . . . 0.0 115.055 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 CA-C-O 116.386 -2.341 . . . . 0.0 108.402 179.156 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.29 31.71 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 126.99 2.681 . . . . 0.0 108.946 178.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 CA-C-O 115.947 -1.978 . . . . 0.0 105.671 173.371 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.681 1 O-C-N 130.505 4.878 . . . . 0.0 108.776 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-O 113.403 -3.189 . . . . 0.0 105.499 175.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.406 4.192 . . . . 0.0 108.042 -178.157 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.79 8.36 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.795 -1.097 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.94 49.62 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.082 0.864 . . . . 0.0 112.609 -178.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.0 30.24 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 115.839 -2.344 . . . . 0.0 111.986 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.51 80.29 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.092 -1.63 . . . . 0.0 116.118 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.07 34.46 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.79 55.33 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 126.626 2.454 . . . . 0.0 106.019 176.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.98 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.642 3.089 . . . . 0.0 109.007 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.63 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 117.271 -1.772 . . . . 0.0 108.192 178.151 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.463 -179.227 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.23 44.46 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.188 4.055 . . . . 0.0 103.577 174.014 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.66 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.661 3.101 . . . . 0.0 111.231 -177.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.49 37.71 Favored Pre-proline 0 C--N 1.314 -0.977 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.317 174.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.5 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.539 2.159 . . . . 0.0 111.934 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.1 59.12 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.92 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.51 47.44 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.864 -179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.32 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 O-C-N 127.258 2.849 . . . . 0.0 110.362 175.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.49 78.95 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.327 -0.858 . . . . 0.0 110.663 177.021 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.47 87.23 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.3 1.04 . . . . 0.0 111.515 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.096 1.498 . . . . 0.0 109.32 178.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.01 83.79 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.815 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.35 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-N 117.985 0.357 . . . . 0.0 111.226 176.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.33 87.09 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 120.363 -1.461 . . . . 0.0 110.797 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.05 -39.43 77.27 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.15 -48.65 79.15 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.531 2.586 . . . . 0.0 109.026 179.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.44 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.724 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.34 17.94 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -175.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.3 8.07 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.081 2.673 . . . . 0.0 113.956 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.36 90.15 Favored Glycine 0 CA--C 1.478 -2.245 0 N-CA-C 118.864 2.305 . . . . 0.0 118.864 176.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.9 83.37 Favored Pre-proline 0 C--O 1.243 0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 111.045 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.572 0 C-N-CA 123.151 2.568 . . . . 0.0 110.913 178.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.693 0 C-N-CA 120.675 0.917 . . . . 0.0 113.463 -179.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.5 63.6 Favored 'General case' 0 C--O 1.263 1.789 0 O-C-N 120.01 -1.681 . . . . 0.0 112.224 -177.466 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.46 28.83 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.478 -1.389 . . . . 0.0 112.011 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.304 2.002 . . . . 0.0 115.64 -177.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.295 3.496 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 172.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.26 50.98 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.464 1.029 . . . . 0.0 109.988 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.189 1.556 . . . . 0.0 111.904 -177.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 177.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.98 19.53 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.738 177.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.551 0 C-N-CA 128.328 2.87 . . . . 0.0 117.48 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.28 34.6 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.41 37.48 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.049 -175.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 125.038 1.461 . . . . 0.0 109.982 -177.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.17 29.87 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.88 85.2 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 116.101 1.2 . . . . 0.0 116.101 -177.328 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.62 17.01 Favored 'General case' 0 C--O 1.25 1.079 0 O-C-N 120.031 -1.864 . . . . 0.0 107.98 176.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.55 11.68 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.19 79.15 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.187 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.57 70.72 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 117.337 -1.745 . . . . 0.0 112.166 -179.491 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.36 70.51 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.66 51.42 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.01 179.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.35 18.29 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 121.541 1.973 . . . . 0.0 111.216 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.148 -2.358 . . . . 0.0 106.182 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.51 8.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.081 2.113 . . . . 0.0 109.515 -176.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -54.7 143.02 26.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.232 1.491 . . . . 0.0 109.284 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 179.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.49 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 174.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.65 52.08 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 175.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.6 19.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.717 -2.564 . . . . 0.0 105.689 174.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.4 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 127.42 2.95 . . . . 0.0 105.864 177.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.808 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.472 176.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.592 -2.744 . . . . 0.0 103.592 175.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.158 0.504 . . . . 0.0 109.832 178.441 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.451 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.599 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 139.03 32.83 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 118.92 137.09 0.0 OUTLIER 'General case' 0 C--O 1.272 2.245 0 CA-C-O 113.408 -3.187 . . . . 0.0 105.462 -179.656 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -166.5 -28.85 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.909 0 O-C-N 125.851 1.969 . . . . 0.0 109.861 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -141.35 158.04 44.4 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 113.798 -1.546 . . . . 0.0 108.836 -179.182 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 174.58 33.68 Favored Glycine 0 C--O 1.243 0.675 0 CA-C-N 114.658 -1.155 . . . . 0.0 115.09 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.462 0 CA-C-O 116.407 -2.329 . . . . 0.0 108.391 179.145 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.22 31.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 126.943 2.652 . . . . 0.0 108.901 178.322 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.513 2.705 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.511 175.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.21 Favored 'General case' 0 N--CA 1.505 2.281 1 O-C-N 129.413 4.196 . . . . 0.0 108.008 -178.108 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -7.0 49.89 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.05 0.844 . . . . 0.0 112.602 -177.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.99 30.23 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 115.814 -2.354 . . . . 0.0 112.023 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.4 80.4 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.122 -1.611 . . . . 0.0 116.129 179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.21 138.09 34.33 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.66 2.475 . . . . 0.0 105.993 176.155 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 142.0 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 127.626 3.079 . . . . 0.0 109.028 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.79 36.62 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 117.242 -1.783 . . . . 0.0 108.256 178.087 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.98 44.26 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.361 -2.257 . . . . 0.0 108.445 -179.158 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.29 44.66 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 129.188 4.055 . . . . 0.0 103.634 173.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.16 170.58 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.678 3.111 . . . . 0.0 111.209 -177.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.53 37.7 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 112.11 -2.313 . . . . 0.0 106.317 174.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.42 39.59 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 122.59 2.193 . . . . 0.0 111.891 177.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.09 59.11 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.917 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.48 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.378 -1.729 . . . . 0.0 109.826 -179.021 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.42 21.21 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.186 2.804 . . . . 0.0 110.369 175.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.41 79.1 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.741 176.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.0 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.269 1.028 . . . . 0.0 111.504 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.44 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.043 1.464 . . . . 0.0 109.303 178.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.71 -38.03 83.7 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.773 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.03 87.21 Favored 'General case' 0 C--O 1.278 2.589 0 CA-C-N 118.032 0.378 . . . . 0.0 111.224 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.09 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 120.432 -1.418 . . . . 0.0 110.785 176.061 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.51 77.5 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.56 79.48 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 125.559 2.599 . . . . 0.0 108.991 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.73 66.68 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.639 -1.618 . . . . 0.0 111.714 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.48 17.94 Favored 'General case' 0 C--O 1.279 2.648 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -175.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.39 8.12 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 123.1 2.682 . . . . 0.0 113.976 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.252 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.741 -1.183 . . . . 0.0 111.014 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.92 79.55 Favored 'Trans proline' 0 C--O 1.26 1.575 0 C-N-CA 123.138 2.559 . . . . 0.0 110.908 178.204 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.22 92.88 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 120.684 0.923 . . . . 0.0 113.416 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.1 -15.65 63.68 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 119.954 -1.716 . . . . 0.0 112.179 -177.396 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.47 28.94 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.532 -1.355 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.289 1.995 . . . . 0.0 115.601 -177.656 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.521 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 172.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.3 50.97 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.461 1.028 . . . . 0.0 110.001 -177.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.176 1.547 . . . . 0.0 111.897 -177.483 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 177.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.01 19.22 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.764 177.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.53 61.04 Favored Glycine 0 N--CA 1.433 -1.566 0 C-N-CA 128.281 2.848 . . . . 0.0 117.557 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.61 46.4 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.28 34.61 Favored 'General case' 0 C--O 1.258 1.549 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 174.514 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.59 138.4 37.44 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.993 -175.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 139.98 36.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 125.132 1.52 . . . . 0.0 109.954 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.43 Favored 'General case' 0 C--O 1.265 1.919 0 N-CA-C 120.732 3.605 . . . . 0.0 120.732 -175.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.81 85.32 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.56 17.0 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 119.981 -1.894 . . . . 0.0 107.95 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.22 79.26 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.125 -179.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.35 70.61 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.465 1.126 . . . . 0.0 110.741 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.64 51.52 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 117.69 -1.148 . . . . 0.0 113.0 179.243 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.31 18.44 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 121.582 1.992 . . . . 0.0 111.212 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.38 Favored 'Isoleucine or valine' 0 C--O 1.269 2.088 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.203 175.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.08 2.112 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 52.1 tttm -54.76 143.05 26.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.203 1.478 . . . . 0.0 109.277 -176.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.11 10.65 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.05 159.5 34.61 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.7 52.18 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 114.688 -2.577 . . . . 0.0 105.695 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.77 46.38 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 127.488 2.992 . . . . 0.0 105.858 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.82 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 175.134 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.221 0.534 . . . . 0.0 109.821 178.451 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.599 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.1 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.16 36.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -118.87 135.16 54.71 Favored 'General case' 0 C--O 1.272 2.272 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.509 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -160.86 174.58 13.64 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.801 1.938 . . . . 0.0 109.87 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -148.7 153.26 37.98 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 113.778 -1.556 . . . . 0.0 108.828 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.14 99.84 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-N 114.657 -1.156 . . . . 0.0 115.084 -179.586 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 CA-C-O 116.388 -2.34 . . . . 0.0 108.399 179.313 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.23 31.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.968 2.668 . . . . 0.0 108.923 178.341 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.07 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 173.41 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.16 49.51 Favored 'General case' 0 N--CA 1.512 2.633 1 O-C-N 130.434 4.834 . . . . 0.0 108.772 179.612 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.436 -3.173 . . . . 0.0 105.499 175.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.47 41.21 Favored 'General case' 0 N--CA 1.505 2.283 1 O-C-N 129.403 4.19 . . . . 0.0 108.075 -178.18 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.49 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.88 49.16 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.09 0.869 . . . . 0.0 112.589 -177.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.46 15.09 29.97 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 115.816 -2.354 . . . . 0.0 111.996 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.56 80.32 Favored Glycine 0 C--N 1.298 -1.573 0 O-C-N 120.175 -1.578 . . . . 0.0 116.076 179.742 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.03 34.49 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 174.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.75 55.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 126.6 2.438 . . . . 0.0 106.032 176.153 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.95 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.616 3.073 . . . . 0.0 109.073 179.647 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.78 36.64 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 117.233 -1.787 . . . . 0.0 108.215 178.116 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 115.383 -2.246 . . . . 0.0 108.457 -179.213 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.44 Favored 'General case' 0 N--CA 1.499 1.978 1 O-C-N 129.188 4.055 . . . . 0.0 103.563 174.012 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.163 0 O-C-N 127.678 3.111 . . . . 0.0 111.189 -177.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.51 37.68 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.307 174.691 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.948 0 C-N-CA 122.563 2.175 . . . . 0.0 111.957 177.669 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.14 59.14 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.91 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.54 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.892 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.38 21.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.33 77.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.254 2.846 . . . . 0.0 110.409 175.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.41 78.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.364 -0.835 . . . . 0.0 110.727 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.84 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 124.336 1.054 . . . . 0.0 111.524 -179.641 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.24 -46.47 88.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 125.065 1.478 . . . . 0.0 109.293 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.95 83.82 Favored 'General case' 0 C--O 1.255 1.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.775 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.19 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 117.998 0.363 . . . . 0.0 111.225 176.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.28 86.91 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.46 -1.4 . . . . 0.0 110.813 176.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.44 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.51 79.59 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 125.519 2.581 . . . . 0.0 109.003 179.451 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.746 179.165 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.38 17.98 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.39 8.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.092 2.678 . . . . 0.0 113.95 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.3 90.16 Favored Glycine 0 CA--C 1.477 -2.327 0 N-CA-C 118.915 2.326 . . . . 0.0 118.915 176.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.006 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.168 2.579 . . . . 0.0 110.975 178.14 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.69 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.887 0.941 . . . . 0.0 113.398 -179.323 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.895 -1.753 . . . . 0.0 112.245 -177.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 120.48 -1.387 . . . . 0.0 112.06 178.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.75 34.78 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 124.291 1.996 . . . . 0.0 115.632 -177.643 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.94 23.94 Favored 'General case' 0 C--O 1.296 3.533 0 N-CA-C 104.902 -2.258 . . . . 0.0 104.902 172.109 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.27 50.98 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 119.476 1.034 . . . . 0.0 109.974 -177.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 125.144 1.527 . . . . 0.0 111.906 -177.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.63 18.89 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 177.481 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.5 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 112.24 -2.255 . . . . 0.0 110.769 177.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.04 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 128.386 2.898 . . . . 0.0 117.518 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.66 46.34 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.55 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 117.757 -1.116 . . . . 0.0 110.042 -175.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.99 36.77 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.051 1.469 . . . . 0.0 109.914 -177.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.27 29.24 Favored 'General case' 0 C--O 1.265 1.898 0 N-CA-C 120.733 3.605 . . . . 0.0 120.733 -175.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.9 85.22 Favored Glycine 0 CA--C 1.492 -1.382 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.287 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 119.978 -1.895 . . . . 0.0 107.98 176.558 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.121 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.19 -36.23 79.32 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.183 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.178 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.34 70.66 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.454 1.121 . . . . 0.0 110.695 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.64 51.45 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.99 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.39 18.32 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 121.577 1.989 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.44 30.36 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.163 175.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.153 2.158 . . . . 0.0 109.489 -176.818 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -54.74 143.04 26.53 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.257 1.503 . . . . 0.0 109.213 -176.909 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.484 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.92 19.2 10.64 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.72 52.24 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.63 19.13 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 114.719 -2.563 . . . . 0.0 105.736 174.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.81 46.35 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.41 2.944 . . . . 0.0 105.858 177.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.799 0 CA-C-O 117.618 -1.182 . . . . 0.0 111.521 176.56 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 103.566 -2.753 . . . . 0.0 103.566 175.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.237 0.541 . . . . 0.0 109.815 178.466 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.456 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.577 ' O ' ' H61' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.46 37.81 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 128.18 158.56 0.0 OUTLIER 'General case' 0 C--O 1.273 2.297 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.521 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -163.3 -103.69 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.827 1.954 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -142.31 158.63 43.51 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.905 -179.394 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 164.87 -167.75 38.76 Favored Glycine 0 C--O 1.243 0.702 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.074 -179.349 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.536 1.393 0 CA-C-O 116.41 -2.328 . . . . 0.0 108.39 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.19 31.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.979 2.674 . . . . 0.0 108.956 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.01 38.15 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.353 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.43 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.492 4.87 . . . . 0.0 108.818 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.16 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.502 175.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.48 41.15 Favored 'General case' 0 N--CA 1.505 2.311 1 O-C-N 129.447 4.217 . . . . 0.0 108.016 -178.177 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.75 8.38 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.95 49.67 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.047 0.842 . . . . 0.0 112.624 -177.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.04 30.1 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 115.763 -2.375 . . . . 0.0 111.991 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.165 -1.584 . . . . 0.0 116.142 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.41 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.624 2.452 . . . . 0.0 106.013 176.154 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.605 3.066 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.75 36.65 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.199 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.03 44.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.373 -2.251 . . . . 0.0 108.45 -179.234 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.984 1 O-C-N 129.189 4.055 . . . . 0.0 103.564 174.025 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.62 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.17 0 O-C-N 127.677 3.111 . . . . 0.0 111.227 -177.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.6 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.351 174.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.42 39.23 Favored 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 122.576 2.184 . . . . 0.0 111.951 177.72 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.13 59.16 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.899 -177.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 117.344 -1.742 . . . . 0.0 109.914 -179.078 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.42 21.23 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 O-C-N 127.159 2.787 . . . . 0.0 110.363 175.759 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.38 79.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.316 -0.865 . . . . 0.0 110.704 177.026 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.4 87.0 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.251 1.02 . . . . 0.0 111.56 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.45 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.107 1.504 . . . . 0.0 109.323 178.5 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.92 83.62 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.08 87.29 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-N 117.976 0.353 . . . . 0.0 111.176 176.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.373 -1.454 . . . . 0.0 110.799 176.02 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.47 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 125.556 2.598 . . . . 0.0 109.003 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.769 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.38 17.97 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -175.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.63 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.102 2.683 . . . . 0.0 113.984 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.44 90.07 Favored Glycine 0 CA--C 1.477 -2.33 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.524 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.713 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.028 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.91 79.33 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.134 2.556 . . . . 0.0 110.922 178.228 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.19 92.8 Favored 'Trans proline' 0 C--O 1.262 1.715 0 C-N-CA 120.704 0.936 . . . . 0.0 113.447 -179.366 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.61 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 119.939 -1.726 . . . . 0.0 112.184 -177.444 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.515 -1.366 . . . . 0.0 112.035 178.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 124.333 2.016 . . . . 0.0 115.602 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.97 24.01 Favored 'General case' 0 C--O 1.296 3.529 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 172.065 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.23 51.0 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.477 1.035 . . . . 0.0 110.017 -177.559 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 O-C-N 125.191 1.557 . . . . 0.0 111.932 -177.509 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.431 -2.062 . . . . 0.0 105.431 177.528 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.97 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.318 -2.219 . . . . 0.0 110.74 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.52 61.02 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 128.376 2.893 . . . . 0.0 117.522 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -114.99 142.62 46.38 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.525 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.056 -175.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.01 36.7 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.115 1.509 . . . . 0.0 109.963 -177.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.2 29.33 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 120.683 3.586 . . . . 0.0 120.683 -175.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -8.79 85.29 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 -177.329 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.59 17.01 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.044 -1.857 . . . . 0.0 108.017 176.483 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.112 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.25 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.124 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.03 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.178 -179.482 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.34 70.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.461 1.124 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.41 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.95 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 121.548 1.976 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.66 116.39 30.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.794 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.55 8.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.089 2.118 . . . . 0.0 109.472 -176.816 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.483 ' HE3' ' H ' ' B' ' 63' ' ' LYS . 49.2 tttm -54.74 143.03 26.56 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.247 1.499 . . . . 0.0 109.216 -176.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.48 34.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.14 126.72 52.28 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 175.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.721 175.048 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.76 46.46 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 127.452 2.97 . . . . 0.0 105.87 177.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.801 0 CA-C-O 117.614 -1.184 . . . . 0.0 111.545 176.566 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.545 -2.761 . . . . 0.0 103.545 175.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 109.851 178.431 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.577 ' H61' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.72 36.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -130.56 159.47 37.06 Favored 'General case' 0 C--O 1.273 2.293 0 CA-C-O 113.347 -3.216 . . . . 0.0 105.461 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 59.03 144.3 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.86 1.975 . . . . 0.0 109.867 -179.712 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -144.62 -39.61 0.27 Allowed 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.847 -179.45 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.09 -178.13 46.06 Favored Glycine 0 C--O 1.243 0.701 0 CA-C-N 114.665 -1.152 . . . . 0.0 115.09 -179.431 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.375 179.158 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.976 2.672 . . . . 0.0 108.921 178.307 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 173.395 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.14 49.54 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.436 4.835 . . . . 0.0 108.814 179.567 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.19 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.49 175.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.51 41.19 Favored 'General case' 0 N--CA 1.505 2.305 1 O-C-N 129.449 4.218 . . . . 0.0 108.018 -178.16 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.298 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.96 49.72 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 124.068 0.855 . . . . 0.0 112.649 -177.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.96 30.34 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 115.839 -2.344 . . . . 0.0 112.023 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.49 80.29 Favored Glycine 0 C--N 1.297 -1.587 0 O-C-N 120.123 -1.611 . . . . 0.0 116.112 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.05 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 174.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.633 2.458 . . . . 0.0 105.998 176.165 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.95 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 127.589 3.056 . . . . 0.0 109.026 179.67 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.61 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 117.2 -1.8 . . . . 0.0 108.205 178.132 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 115.368 -2.253 . . . . 0.0 108.462 -179.225 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.92 121.22 44.42 Favored 'General case' 0 N--CA 1.499 1.994 1 O-C-N 129.156 4.035 . . . . 0.0 103.569 174.007 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.674 3.109 . . . . 0.0 111.202 -177.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.5 37.73 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.15 -2.296 . . . . 0.0 106.304 174.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.43 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 122.535 2.156 . . . . 0.0 111.978 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.911 -177.518 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.5 47.48 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.33 -1.748 . . . . 0.0 109.861 -179.063 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.42 21.23 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 175.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 127.222 2.826 . . . . 0.0 110.372 175.755 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.32 79.12 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.384 -0.823 . . . . 0.0 110.717 176.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.57 -44.44 86.7 Favored 'General case' 0 C--O 1.249 1.027 0 C-N-CA 124.32 1.048 . . . . 0.0 111.499 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.5 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.083 1.49 . . . . 0.0 109.331 178.523 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -37.95 83.6 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.79 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.622 0 CA-C-N 118.002 0.364 . . . . 0.0 111.223 176.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.31 87.03 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.36 -1.462 . . . . 0.0 110.795 176.042 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.54 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.59 79.4 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.02 179.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.775 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.41 17.95 Favored 'General case' 0 C--O 1.28 2.666 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -175.663 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.54 -6.41 8.11 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 123.122 2.692 . . . . 0.0 113.942 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.38 90.13 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.857 2.303 . . . . 0.0 118.857 176.514 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.82 83.34 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.8 -1.16 . . . . 0.0 111.011 179.695 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.87 79.21 Favored 'Trans proline' 0 C--O 1.26 1.576 0 C-N-CA 123.163 2.575 . . . . 0.0 110.865 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.18 -32.15 92.64 Favored 'Trans proline' 0 C--O 1.261 1.651 0 C-N-CA 120.706 0.937 . . . . 0.0 113.411 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.62 63.65 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.948 -1.72 . . . . 0.0 112.239 -177.453 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.48 28.95 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.504 -1.373 . . . . 0.0 112.031 178.704 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.261 1.982 . . . . 0.0 115.67 -177.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.9 23.91 Favored 'General case' 0 C--O 1.296 3.502 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.149 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.27 50.94 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.436 1.016 . . . . 0.0 109.936 -177.509 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.8 72.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.158 1.536 . . . . 0.0 111.841 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.19 129.7 19.02 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.95 19.55 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.296 -2.229 . . . . 0.0 110.764 177.348 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.57 61.03 Favored Glycine 0 N--CA 1.432 -1.613 0 C-N-CA 128.39 2.9 . . . . 0.0 117.523 -179.469 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.581 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.56 138.35 37.45 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.994 -175.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.76 139.98 36.66 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 125.08 1.487 . . . . 0.0 109.966 -177.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.64 Favored 'General case' 0 C--O 1.264 1.867 0 N-CA-C 120.707 3.595 . . . . 0.0 120.707 -175.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.23 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 -177.341 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.56 17.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 120.0 -1.882 . . . . 0.0 107.979 176.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.58 11.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.125 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.22 79.33 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.211 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.56 70.73 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.302 -1.759 . . . . 0.0 112.183 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.28 70.62 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.417 1.103 . . . . 0.0 110.692 179.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.64 51.5 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 117.684 -1.15 . . . . 0.0 112.96 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.31 18.39 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 121.55 1.977 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.47 30.39 Favored 'Isoleucine or valine' 0 C--O 1.267 2.019 0 CA-C-O 115.197 -2.335 . . . . 0.0 106.162 175.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 126.061 2.101 . . . . 0.0 109.515 -176.809 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 18.4 ptpt -54.74 143.03 26.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.158 1.456 . . . . 0.0 109.276 -176.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 179.493 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.811 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.64 52.04 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.67 19.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 114.734 -2.555 . . . . 0.0 105.708 175.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.79 46.43 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 127.411 2.944 . . . . 0.0 105.868 177.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.805 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.495 176.567 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.182 0.515 . . . . 0.0 109.853 178.423 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.407 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.655 ' O ' ' H61' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.62 37.59 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -111.5 25.11 12.02 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.446 -3.169 . . . . 0.0 105.468 -179.666 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 47.83 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 O-C-N 125.771 1.919 . . . . 0.0 109.848 -179.766 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -77.41 168.66 19.65 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.817 -1.538 . . . . 0.0 108.844 -179.326 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.08 168.42 37.84 Favored Glycine 0 C--O 1.244 0.731 0 CA-C-N 114.669 -1.15 . . . . 0.0 115.063 -179.382 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.41 -2.328 . . . . 0.0 108.349 179.301 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.28 31.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.904 2.627 . . . . 0.0 108.974 178.241 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 162.97 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 105.658 -1.978 . . . . 0.0 105.658 173.416 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.666 1 O-C-N 130.472 4.858 . . . . 0.0 108.78 179.585 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.444 -3.169 . . . . 0.0 105.478 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.48 41.26 Favored 'General case' 0 N--CA 1.505 2.299 1 O-C-N 129.372 4.17 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.78 8.37 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -7.01 49.94 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 124.011 0.819 . . . . 0.0 112.569 -177.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.804 -2.358 . . . . 0.0 111.975 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.46 80.34 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.124 -1.61 . . . . 0.0 116.099 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.07 34.43 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.575 2.422 . . . . 0.0 106.081 176.147 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 127.547 3.029 . . . . 0.0 109.041 179.718 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.79 36.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.245 -1.782 . . . . 0.0 108.217 178.142 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.376 -2.249 . . . . 0.0 108.432 -179.183 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.24 44.53 Favored 'General case' 0 N--CA 1.498 1.967 1 O-C-N 129.161 4.038 . . . . 0.0 103.577 174.007 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 O-C-N 127.752 3.157 . . . . 0.0 111.226 -177.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.72 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.333 174.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.96 -24.43 39.36 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.604 2.203 . . . . 0.0 111.902 177.73 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.93 -177.51 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.55 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.9 -179.093 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.43 21.2 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.25 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 127.213 2.82 . . . . 0.0 110.392 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.698 177.011 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 124.302 1.041 . . . . 0.0 111.49 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 125.055 1.472 . . . . 0.0 109.306 178.523 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.94 83.73 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.09 87.42 Favored 'General case' 0 C--O 1.28 2.664 0 CA-C-N 117.978 0.353 . . . . 0.0 111.252 176.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.39 87.3 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 120.366 -1.459 . . . . 0.0 110.781 176.013 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.54 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.35 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 125.531 2.586 . . . . 0.0 109.034 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.77 66.53 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.771 179.106 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.47 17.95 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -175.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.31 8.1 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 123.145 2.702 . . . . 0.0 113.976 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.44 90.1 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.561 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.8 83.36 Favored Pre-proline 0 C--O 1.244 0.766 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.019 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.56 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 123.14 2.56 . . . . 0.0 110.908 178.245 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.15 92.83 Favored 'Trans proline' 0 C--O 1.262 1.696 0 O-C-N 122.857 0.925 . . . . 0.0 113.449 -179.373 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 120.01 -1.681 . . . . 0.0 112.185 -177.437 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.45 28.9 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.518 -1.364 . . . . 0.0 112.012 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.311 2.005 . . . . 0.0 115.579 -177.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.295 3.476 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 172.07 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.07 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 119.426 1.012 . . . . 0.0 109.999 -177.572 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.83 72.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 O-C-N 125.194 1.559 . . . . 0.0 111.873 -177.456 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.7 19.0 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.388 -2.079 . . . . 0.0 105.388 177.543 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.96 19.51 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.266 -2.243 . . . . 0.0 110.778 177.396 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.64 61.08 Favored Glycine 0 N--CA 1.433 -1.554 0 C-N-CA 128.36 2.886 . . . . 0.0 117.51 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.67 46.33 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.653 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 174.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.39 37.52 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.044 -175.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 140.0 36.78 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.093 1.496 . . . . 0.0 109.943 -177.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.16 29.92 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.721 3.601 . . . . 0.0 120.721 -175.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.9 85.2 Favored Glycine 0 CA--C 1.492 -1.376 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 -177.301 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.6 17.03 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.017 -1.872 . . . . 0.0 107.976 176.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.61 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.166 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.21 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.212 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.049 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.158 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.3 70.63 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.437 1.113 . . . . 0.0 110.725 179.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.991 179.282 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.39 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 121.549 1.977 . . . . 0.0 111.189 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.43 30.32 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.119 -2.372 . . . . 0.0 106.174 175.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.137 2.148 . . . . 0.0 109.53 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.509 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.77 143.01 26.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 123.234 1.492 . . . . 0.0 109.217 -176.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.0 19.15 10.6 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.418 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.54 34.48 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.16 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.63 19.11 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 114.693 -2.575 . . . . 0.0 105.758 174.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.8 46.36 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.37 2.919 . . . . 0.0 105.886 177.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.816 0 CA-C-O 117.585 -1.198 . . . . 0.0 111.535 176.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.181 0.515 . . . . 0.0 109.822 178.468 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.655 ' H61' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.562 ' HA ' ' H2 ' ' A' ' 102' ' ' MTN . 4.8 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.557 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.14 35.56 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -121.79 78.42 1.46 Allowed 'General case' 0 C--O 1.271 2.236 0 CA-C-O 113.421 -3.18 . . . . 0.0 105.522 -179.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -48.38 153.01 0.8 Allowed 'General case' 0 C--N 1.293 -1.878 0 O-C-N 125.791 1.932 . . . . 0.0 109.826 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -144.94 161.78 38.51 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 113.763 -1.562 . . . . 0.0 108.84 -179.579 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 147.68 127.26 1.71 Allowed Glycine 0 C--O 1.244 0.738 0 CA-C-N 114.63 -1.168 . . . . 0.0 115.091 -179.473 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.398 -2.334 . . . . 0.0 108.377 179.154 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.21 31.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 127.002 2.689 . . . . 0.0 108.911 178.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.06 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.363 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.25 49.43 Favored 'General case' 0 N--CA 1.512 2.653 1 O-C-N 130.439 4.837 . . . . 0.0 108.772 179.615 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.13 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.449 175.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.12 127.5 41.22 Favored 'General case' 0 N--CA 1.505 2.279 1 O-C-N 129.418 4.198 . . . . 0.0 108.048 -178.188 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.93 49.45 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.082 0.864 . . . . 0.0 112.606 -177.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.24 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.79 -2.364 . . . . 0.0 111.96 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.134 -1.604 . . . . 0.0 116.111 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.08 34.39 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.82 55.34 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 126.591 2.432 . . . . 0.0 106.052 176.154 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.567 3.042 . . . . 0.0 109.048 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.273 -1.771 . . . . 0.0 108.24 178.136 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.01 44.22 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.371 -2.252 . . . . 0.0 108.482 -179.247 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.215 4.072 . . . . 0.0 103.564 174.001 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.63 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.198 0 O-C-N 127.658 3.099 . . . . 0.0 111.243 -177.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.53 37.67 Favored Pre-proline 0 C--N 1.314 -0.967 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.354 174.696 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.44 39.58 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.548 2.165 . . . . 0.0 111.97 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.14 59.12 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.875 -177.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.822 -178.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.46 21.2 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 175.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.27 -37.27 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.207 2.817 . . . . 0.0 110.383 175.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.39 79.13 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.379 -0.826 . . . . 0.0 110.74 176.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.42 87.09 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.338 1.055 . . . . 0.0 111.547 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 125.017 1.448 . . . . 0.0 109.332 178.525 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -38.01 83.89 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.772 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.28 Favored 'General case' 0 C--O 1.278 2.593 0 CA-C-N 118.029 0.377 . . . . 0.0 111.227 176.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.33 -37.28 86.93 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 120.403 -1.436 . . . . 0.0 110.818 176.039 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.55 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.238 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.67 79.06 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.537 2.589 . . . . 0.0 109.005 179.487 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.73 66.33 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.727 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.42 17.92 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.35 8.09 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 123.139 2.699 . . . . 0.0 113.965 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.844 2.298 . . . . 0.0 118.844 176.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.89 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.82 -1.152 . . . . 0.0 111.021 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.567 0 C-N-CA 123.186 2.591 . . . . 0.0 110.933 178.242 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.27 -32.12 92.76 Favored 'Trans proline' 0 C--O 1.263 1.73 0 C-N-CA 120.67 0.914 . . . . 0.0 113.432 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.969 -1.707 . . . . 0.0 112.204 -177.455 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.88 -10.43 28.87 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.448 -1.407 . . . . 0.0 112.03 178.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.72 34.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 124.32 2.01 . . . . 0.0 115.681 -177.691 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.91 23.88 Favored 'General case' 0 C--O 1.295 3.495 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.151 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.404 1.002 . . . . 0.0 109.987 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 O-C-N 125.174 1.546 . . . . 0.0 111.872 -177.46 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.74 19.0 Favored 'General case' 0 C--N 1.36 1.058 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.97 19.46 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.265 -2.243 . . . . 0.0 110.782 177.384 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.58 61.02 Favored Glycine 0 N--CA 1.432 -1.598 0 C-N-CA 128.406 2.908 . . . . 0.0 117.515 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.72 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.594 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.512 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.704 -1.141 . . . . 0.0 110.049 -175.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.81 140.02 36.66 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 125.113 1.508 . . . . 0.0 109.964 -177.751 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.22 30.17 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.86 85.32 Favored Glycine 0 CA--C 1.491 -1.428 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 119.965 -1.903 . . . . 0.0 108.035 176.484 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.178 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.131 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.66 70.83 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.186 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.467 1.127 . . . . 0.0 110.732 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.942 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.31 18.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.554 1.979 . . . . 0.0 111.182 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.14 -2.362 . . . . 0.0 106.175 175.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.091 2.12 . . . . 0.0 109.476 -176.784 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.48 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 20.9 pttp -54.77 143.0 26.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 123.222 1.487 . . . . 0.0 109.237 -176.907 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.19 10.64 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 179.455 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.54 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.72 52.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.005 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.65 19.11 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.735 174.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.409 2.943 . . . . 0.0 105.866 177.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.634 -1.174 . . . . 0.0 111.505 176.54 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.078 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.159 0.504 . . . . 0.0 109.829 178.451 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.562 ' H2 ' ' HA ' ' A' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.541 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 136.04 37.03 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . -128.76 157.07 42.48 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 113.425 -3.178 . . . . 0.0 105.513 177.777 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 70.86 141.6 0.05 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.773 1.92 . . . . 0.0 109.804 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -148.15 -44.16 0.16 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.882 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.34 -166.76 41.45 Favored Glycine 0 C--O 1.243 0.67 0 CA-C-N 114.635 -1.166 . . . . 0.0 115.107 -179.442 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 CA-C-O 116.407 -2.33 . . . . 0.0 108.339 179.226 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 126.946 2.654 . . . . 0.0 108.932 178.348 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.427 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.635 1 O-C-N 130.456 4.848 . . . . 0.0 108.767 179.581 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.507 175.836 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.47 41.18 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.44 4.212 . . . . 0.0 108.09 -178.166 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.856 -1.069 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.99 49.84 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.016 0.822 . . . . 0.0 112.567 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.96 30.33 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.781 -2.368 . . . . 0.0 112.016 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.35 Favored Glycine 0 C--N 1.297 -1.611 0 O-C-N 120.126 -1.609 . . . . 0.0 116.163 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.41 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 175.054 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.92 131.74 55.31 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 126.636 2.46 . . . . 0.0 106.019 176.121 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 127.568 3.043 . . . . 0.0 109.062 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.75 36.67 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.261 -1.776 . . . . 0.0 108.226 178.147 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.05 44.18 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 115.347 -2.263 . . . . 0.0 108.476 -179.213 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.23 44.49 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.192 4.057 . . . . 0.0 103.622 173.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.717 3.135 . . . . 0.0 111.231 -177.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.44 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.581 2.187 . . . . 0.0 111.919 177.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.86 -8.15 59.13 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.876 -177.497 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.49 47.55 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.323 -1.751 . . . . 0.0 109.903 -179.063 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 175.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.28 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 O-C-N 127.191 2.807 . . . . 0.0 110.364 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.43 78.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.364 -0.835 . . . . 0.0 110.751 176.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.51 86.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.323 1.049 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 125.049 1.468 . . . . 0.0 109.288 178.509 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.96 83.92 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.98 87.07 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-N 118.015 0.37 . . . . 0.0 111.269 176.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.3 -37.35 87.2 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 120.346 -1.471 . . . . 0.0 110.782 175.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.48 77.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.63 79.21 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 125.541 2.591 . . . . 0.0 109.007 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.73 66.4 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 0.0 111.754 179.127 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.668 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -175.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 123.126 2.694 . . . . 0.0 113.971 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.46 90.06 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.877 2.311 . . . . 0.0 118.877 176.481 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.244 0.784 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.038 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.91 79.56 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.173 2.582 . . . . 0.0 110.923 178.212 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.15 92.68 Favored 'Trans proline' 0 C--O 1.261 1.675 0 O-C-N 122.878 0.936 . . . . 0.0 113.426 -179.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 119.988 -1.695 . . . . 0.0 112.213 -177.429 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.44 28.89 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.546 -1.346 . . . . 0.0 112.013 178.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 124.305 2.002 . . . . 0.0 115.609 -177.649 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.97 24.01 Favored 'General case' 0 C--O 1.295 3.482 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.484 1.038 . . . . 0.0 109.978 -177.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.13 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.18 1.55 . . . . 0.0 111.892 -177.489 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.69 18.93 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.31 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.761 177.403 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.62 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.384 2.897 . . . . 0.0 117.519 -179.482 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.59 46.44 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.3 34.6 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.771 -2.678 . . . . 0.0 103.771 174.574 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.5 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.034 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.03 36.65 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.005 1.44 . . . . 0.0 109.966 -177.722 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.23 30.36 Favored 'General case' 0 C--O 1.266 1.938 0 N-CA-C 120.631 3.567 . . . . 0.0 120.631 -175.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.84 85.27 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 116.126 1.21 . . . . 0.0 116.126 -177.311 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.56 17.04 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 119.985 -1.891 . . . . 0.0 108.025 176.49 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 177.107 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.16 79.22 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.166 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.64 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.292 -1.763 . . . . 0.0 112.161 -179.529 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.53 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.455 1.121 . . . . 0.0 110.686 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.71 51.34 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.686 -1.15 . . . . 0.0 112.996 179.258 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.4 18.53 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.563 1.983 . . . . 0.0 111.192 179.808 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.34 30.18 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-O 115.118 -2.372 . . . . 0.0 106.134 175.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 126.148 2.155 . . . . 0.0 109.544 -176.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -54.78 143.06 26.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.216 1.484 . . . . 0.0 109.252 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 179.473 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.06 159.52 34.58 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.7 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.59 19.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 114.729 -2.558 . . . . 0.0 105.734 175.017 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.72 46.49 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 127.398 2.936 . . . . 0.0 105.855 177.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.86 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.537 176.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.537 -2.764 . . . . 0.0 103.537 175.191 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.181 0.515 . . . . 0.0 109.827 178.442 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.541 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.761 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.61 37.61 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -143.1 107.93 4.89 Favored 'General case' 0 C--O 1.272 2.283 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.489 -179.607 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -77.81 137.47 38.44 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.782 1.926 . . . . 0.0 109.819 -179.75 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -91.05 -2.36 57.65 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.793 -1.549 . . . . 0.0 108.863 -179.272 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.61 160.62 53.75 Favored Glycine 0 C--O 1.243 0.716 0 CA-C-N 114.689 -1.141 . . . . 0.0 115.084 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.451 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.378 179.233 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.3 31.71 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 126.928 2.642 . . . . 0.0 108.906 178.282 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.19 163.01 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.367 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.14 49.53 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.469 4.856 . . . . 0.0 108.762 179.561 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.374 -3.203 . . . . 0.0 105.541 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.52 41.23 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.368 4.168 . . . . 0.0 108.057 -178.153 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.7 8.41 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.829 -1.081 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.93 49.42 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.023 0.827 . . . . 0.0 112.617 -177.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 15.02 30.17 Favored 'General case' 0 N--CA 1.502 2.153 0 C-N-CA 115.804 -2.358 . . . . 0.0 112.009 179.901 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.43 80.35 Favored Glycine 0 C--N 1.297 -1.597 0 O-C-N 120.126 -1.609 . . . . 0.0 116.089 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.591 2.432 . . . . 0.0 105.992 176.176 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 127.586 3.053 . . . . 0.0 109.05 179.663 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.296 -1.762 . . . . 0.0 108.242 178.134 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.09 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.355 -2.26 . . . . 0.0 108.452 -179.174 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.23 44.47 Favored 'General case' 0 N--CA 1.499 2.011 1 O-C-N 129.186 4.054 . . . . 0.0 103.618 173.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.59 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.678 3.111 . . . . 0.0 111.223 -177.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.89 144.51 37.54 Favored Pre-proline 0 C--N 1.314 -0.973 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.331 174.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.0 -24.39 39.49 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 122.56 2.174 . . . . 0.0 111.916 177.721 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.1 59.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.925 -177.543 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.51 47.47 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.873 -179.014 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.41 21.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.727 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.27 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.129 2.768 . . . . 0.0 110.41 175.751 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.5 79.08 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.865 . . . . 0.0 110.751 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.44 -44.44 87.31 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.314 1.046 . . . . 0.0 111.5 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.43 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.039 1.462 . . . . 0.0 109.319 178.503 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.97 83.74 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.751 -179.712 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.98 86.98 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-N 117.969 0.349 . . . . 0.0 111.237 176.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.28 86.95 Favored 'General case' 0 C--O 1.256 1.416 0 O-C-N 120.341 -1.474 . . . . 0.0 110.804 176.029 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 125.498 2.57 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.74 66.59 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.709 179.142 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.28 2.692 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 -175.671 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 123.133 2.697 . . . . 0.0 113.954 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.4 90.1 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.521 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.86 83.22 Favored Pre-proline 0 C--O 1.243 0.728 0 C-N-CA 118.811 -1.156 . . . . 0.0 111.003 179.714 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.93 136.87 79.12 Favored 'Trans proline' 0 C--O 1.259 1.557 0 C-N-CA 123.126 2.55 . . . . 0.0 110.933 178.214 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.63 Favored 'Trans proline' 0 C--O 1.261 1.668 0 C-N-CA 120.693 0.929 . . . . 0.0 113.433 -179.375 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.53 63.62 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.957 -1.714 . . . . 0.0 112.217 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.47 28.87 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.527 -1.358 . . . . 0.0 112.005 178.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.311 2.005 . . . . 0.0 115.633 -177.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.95 23.96 Favored 'General case' 0 C--O 1.296 3.528 0 N-CA-C 104.872 -2.269 . . . . 0.0 104.872 172.133 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.456 1.025 . . . . 0.0 110.036 -177.596 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.132 1.52 . . . . 0.0 111.867 -177.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.7 18.9 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.276 -2.238 . . . . 0.0 110.773 177.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.58 61.11 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 128.329 2.871 . . . . 0.0 117.486 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.69 46.3 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.26 34.61 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 174.521 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.36 37.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.015 -175.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.98 36.7 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.01 1.444 . . . . 0.0 109.986 -177.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.17 29.98 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 120.711 3.596 . . . . 0.0 120.711 -175.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.8 85.3 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.068 1.187 . . . . 0.0 116.068 -177.339 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.55 17.01 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.025 -1.868 . . . . 0.0 107.998 176.49 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.63 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.16 79.17 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 177.155 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.182 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.55 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.432 1.11 . . . . 0.0 110.698 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.994 179.294 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.33 18.41 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.568 1.986 . . . . 0.0 111.237 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.4 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.052 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.158 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 126.126 2.141 . . . . 0.0 109.512 -176.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' B' ' 63' ' ' LYS . 39.7 ttmt -54.81 143.09 26.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.204 1.478 . . . . 0.0 109.245 -176.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.22 10.68 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 117.913 2.56 . . . . 0.0 117.913 179.459 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.69 52.16 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.63 19.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.678 -2.582 . . . . 0.0 105.727 175.003 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.285 -2.198 0 O-C-N 127.462 2.976 . . . . 0.0 105.875 177.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.79 30.8 Favored 'General case' 0 C--O 1.283 2.83 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.533 176.581 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.94 28.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 103.542 -2.762 . . . . 0.0 103.542 175.146 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.152 0.501 . . . . 0.0 109.851 178.421 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.761 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.01 41.87 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 141.01 160.56 0.0 OUTLIER 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.339 -3.22 . . . . 0.0 105.523 -178.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -167.56 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 O-C-N 125.85 1.969 . . . . 0.0 109.829 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -139.77 121.72 15.6 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.86 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.43 -171.67 45.33 Favored Glycine 0 C--O 1.243 0.682 0 CA-C-N 114.656 -1.156 . . . . 0.0 115.08 -179.439 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.381 -2.344 . . . . 0.0 108.409 179.15 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 126.957 2.66 . . . . 0.0 108.95 178.282 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 173.376 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.93 140.17 49.51 Favored 'General case' 0 N--CA 1.513 2.679 1 O-C-N 130.5 4.875 . . . . 0.0 108.781 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.438 -3.172 . . . . 0.0 105.529 175.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.46 41.21 Favored 'General case' 0 N--CA 1.505 2.295 1 O-C-N 129.382 4.176 . . . . 0.0 108.011 -178.131 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -7.01 49.92 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.036 0.835 . . . . 0.0 112.607 -177.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.846 -2.342 . . . . 0.0 111.987 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.52 80.26 Favored Glycine 0 C--N 1.297 -1.586 0 O-C-N 120.127 -1.608 . . . . 0.0 116.166 179.764 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.1 34.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 175.001 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.8 55.34 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 126.634 2.459 . . . . 0.0 106.05 176.136 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 142.01 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 127.637 3.086 . . . . 0.0 109.027 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.227 178.135 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 153.97 44.3 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.447 -179.169 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.82 121.2 44.43 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.192 4.058 . . . . 0.0 103.616 173.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.62 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.669 3.106 . . . . 0.0 111.231 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.47 37.58 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.131 -2.304 . . . . 0.0 106.295 174.714 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.85 -24.47 38.75 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.549 2.166 . . . . 0.0 111.93 177.72 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.5 47.47 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.897 -179.04 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.4 21.25 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.3 77.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.164 2.79 . . . . 0.0 110.357 175.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.39 78.98 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.342 -0.849 . . . . 0.0 110.739 177.014 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.326 1.05 . . . . 0.0 111.493 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.49 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.068 1.48 . . . . 0.0 109.347 178.514 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.74 -38.01 83.71 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.99 86.97 Favored 'General case' 0 C--O 1.279 2.613 0 CA-C-N 118.005 0.366 . . . . 0.0 111.183 176.9 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.29 86.97 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.409 -1.432 . . . . 0.0 110.833 176.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.46 77.39 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.56 79.48 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.573 2.606 . . . . 0.0 109.056 179.417 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.75 66.47 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.74 179.127 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.55 -24.45 17.96 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 -175.676 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.27 8.1 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.105 2.684 . . . . 0.0 113.975 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.37 90.14 Favored Glycine 0 CA--C 1.477 -2.306 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.543 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.243 0.734 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.9 79.4 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.159 2.573 . . . . 0.0 110.903 178.198 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.14 92.63 Favored 'Trans proline' 0 C--O 1.262 1.683 0 C-N-CA 120.692 0.928 . . . . 0.0 113.44 -179.388 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 119.986 -1.696 . . . . 0.0 112.201 -177.472 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.79 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.522 -1.361 . . . . 0.0 112.06 178.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.76 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.319 2.009 . . . . 0.0 115.584 -177.62 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.91 23.86 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.11 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.95 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 119.465 1.029 . . . . 0.0 109.961 -177.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.86 72.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 O-C-N 125.144 1.527 . . . . 0.0 111.894 -177.468 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.67 18.98 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.477 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.98 19.59 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.782 177.383 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.55 61.09 Favored Glycine 0 N--CA 1.433 -1.547 0 C-N-CA 128.341 2.877 . . . . 0.0 117.474 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.61 46.41 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.69 130.29 34.6 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 174.535 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.017 -175.88 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 125.059 1.475 . . . . 0.0 109.955 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.18 30.43 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.97 85.17 Favored Glycine 0 CA--C 1.492 -1.387 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 -177.298 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.59 17.07 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 119.999 -1.883 . . . . 0.0 108.005 176.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.64 11.61 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.112 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.21 79.37 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.132 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.152 -179.485 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.24 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.505 1.145 . . . . 0.0 110.739 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.69 51.43 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.979 179.259 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.6 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.534 1.97 . . . . 0.0 111.189 179.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.153 -2.356 . . . . 0.0 106.211 175.777 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 126.047 2.092 . . . . 0.0 109.545 -176.851 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.447 ' H ' ' HD2' ' B' ' 63' ' ' LYS . 39.5 ttmt -54.73 143.0 26.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 123.175 1.464 . . . . 0.0 109.281 -176.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.62 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.489 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.04 159.54 34.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 174.805 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.73 52.22 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.63 19.12 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.732 -2.556 . . . . 0.0 105.714 174.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.72 46.5 Favored 'General case' 0 C--N 1.286 -2.157 0 O-C-N 127.406 2.941 . . . . 0.0 105.891 177.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.85 30.9 Favored 'General case' 0 C--O 1.283 2.827 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.509 176.584 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 175.142 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.134 0.493 . . . . 0.0 109.838 178.455 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.454 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.91 34.45 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' C ' ' N ' ' A' ' 74' ' ' ARG . . . -131.02 155.72 46.37 Favored 'General case' 0 C--O 1.272 2.243 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.468 -176.338 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -160.82 141.5 11.51 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 125.823 1.952 . . . . 0.0 109.831 179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' C ' ' A' ' 72' ' ' ARG . . . -93.82 144.34 25.52 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.865 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 1.2 88.64 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 114.658 -1.156 . . . . 0.0 115.095 -179.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.358 179.27 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 126.985 2.678 . . . . 0.0 108.92 178.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 173.38 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.446 4.841 . . . . 0.0 108.794 179.585 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.15 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 113.383 -3.198 . . . . 0.0 105.537 175.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.48 41.19 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.052 -178.178 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.75 8.39 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.97 49.68 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.068 0.855 . . . . 0.0 112.568 -177.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.3 14.92 30.45 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.975 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.46 80.33 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.122 -1.611 . . . . 0.0 116.136 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 174.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.35 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.586 2.429 . . . . 0.0 105.998 176.167 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 127.555 3.034 . . . . 0.0 109.048 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.77 36.6 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.209 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.381 -2.247 . . . . 0.0 108.413 -179.166 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.026 1 O-C-N 129.251 4.094 . . . . 0.0 103.577 173.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.63 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 O-C-N 127.706 3.129 . . . . 0.0 111.261 -177.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.52 37.74 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 112.194 -2.276 . . . . 0.0 106.327 174.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.46 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 122.522 2.148 . . . . 0.0 111.954 177.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.17 59.13 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.836 -177.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.5 47.53 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.861 -179.048 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.4 21.19 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 175.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.24 77.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.168 2.792 . . . . 0.0 110.362 175.799 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.47 79.22 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.406 -0.809 . . . . 0.0 110.731 176.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.06 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 124.342 1.057 . . . . 0.0 111.507 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.28 -46.5 88.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.016 1.448 . . . . 0.0 109.282 178.513 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.73 -38.0 83.64 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.04 87.2 Favored 'General case' 0 C--O 1.279 2.623 0 CA-C-N 117.965 0.348 . . . . 0.0 111.215 176.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.38 87.25 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.435 -1.415 . . . . 0.0 110.861 175.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.49 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.879 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.59 79.34 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.511 2.577 . . . . 0.0 109.011 179.46 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.7 66.53 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.705 -1.588 . . . . 0.0 111.735 179.104 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.43 17.92 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 123.138 2.699 . . . . 0.0 113.957 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.37 90.11 Favored Glycine 0 CA--C 1.477 -2.302 0 N-CA-C 118.873 2.309 . . . . 0.0 118.873 176.567 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.84 83.33 Favored Pre-proline 0 C--O 1.243 0.741 0 C-N-CA 118.835 -1.146 . . . . 0.0 111.005 179.678 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.92 79.48 Favored 'Trans proline' 0 C--O 1.259 1.558 0 C-N-CA 123.155 2.57 . . . . 0.0 110.935 178.183 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.262 1.708 0 C-N-CA 120.699 0.933 . . . . 0.0 113.422 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.59 63.64 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 119.931 -1.731 . . . . 0.0 112.22 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.45 28.93 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 120.505 -1.372 . . . . 0.0 112.084 178.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 124.313 2.006 . . . . 0.0 115.636 -177.656 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.92 23.92 Favored 'General case' 0 C--O 1.296 3.532 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 172.109 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.26 51.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.465 1.03 . . . . 0.0 109.986 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.04 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 O-C-N 125.105 1.503 . . . . 0.0 111.892 -177.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.3 129.68 18.87 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.03 46.03 19.25 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.239 -2.255 . . . . 0.0 110.779 177.346 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.55 61.0 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.318 2.866 . . . . 0.0 117.529 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.66 46.33 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 177.725 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 174.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.4 37.52 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.028 -175.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.91 139.99 36.81 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 125.111 1.507 . . . . 0.0 109.977 -177.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.21 29.12 Favored 'General case' 0 C--O 1.266 1.926 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.95 85.16 Favored Glycine 0 CA--C 1.492 -1.381 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -177.341 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 119.997 -1.884 . . . . 0.0 108.015 176.538 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.089 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.34 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.22 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.56 70.73 Favored 'General case' 0 C--O 1.269 2.103 0 C-N-CA 117.295 -1.762 . . . . 0.0 112.134 -179.473 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.33 70.6 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.453 1.121 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.68 51.43 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 117.708 -1.139 . . . . 0.0 112.993 179.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.36 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.548 1.976 . . . . 0.0 111.229 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.67 116.39 30.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.026 0 CA-C-O 115.112 -2.375 . . . . 0.0 106.176 175.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.099 2.124 . . . . 0.0 109.498 -176.852 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.5 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 64.1 pttt -54.74 143.02 26.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.224 1.488 . . . . 0.0 109.255 -176.9 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.07 10.59 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.945 2.572 . . . . 0.0 117.945 179.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.12 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 175.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.723 175.012 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.79 46.38 Favored 'General case' 0 C--N 1.285 -2.199 0 O-C-N 127.446 2.966 . . . . 0.0 105.904 177.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.11 115.83 30.86 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.545 176.612 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.97 28.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.176 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.402 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.437 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.499 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 0.7 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 141.81 29.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 86.55 141.36 0.05 Allowed 'General case' 0 C--O 1.272 2.264 0 CA-C-O 113.423 -3.179 . . . . 0.0 105.479 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . -161.29 -10.2 0.04 OUTLIER 'General case' 0 C--N 1.293 -1.887 0 O-C-N 125.79 1.931 . . . . 0.0 109.819 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' H ' ' H ' ' A' ' 73' ' ' LEU . . . -149.97 159.94 44.0 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.854 -179.119 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.43 -155.14 31.47 Favored Glycine 0 C--O 1.243 0.698 0 CA-C-N 114.648 -1.16 . . . . 0.0 115.068 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.364 -2.353 . . . . 0.0 108.34 179.236 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.968 2.667 . . . . 0.0 108.917 178.343 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.629 -1.989 . . . . 0.0 105.629 173.408 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.96 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.483 4.864 . . . . 0.0 108.802 179.545 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.521 175.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.47 41.19 Favored 'General case' 0 N--CA 1.504 2.233 1 O-C-N 129.368 4.168 . . . . 0.0 108.089 -178.178 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.74 8.39 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.354 179.915 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.66 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.019 0.825 . . . . 0.0 112.595 -177.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.27 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 115.815 -2.354 . . . . 0.0 112.03 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.46 80.36 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.069 -1.644 . . . . 0.0 116.114 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.43 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.73 55.34 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.583 2.427 . . . . 0.0 106.037 176.135 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.03 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 127.572 3.045 . . . . 0.0 109.052 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.77 36.67 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.228 -1.789 . . . . 0.0 108.253 178.09 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.47 154.01 44.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 115.335 -2.269 . . . . 0.0 108.428 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.26 44.56 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.221 4.076 . . . . 0.0 103.554 173.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.61 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 O-C-N 127.669 3.106 . . . . 0.0 111.188 -177.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.51 37.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 112.137 -2.302 . . . . 0.0 106.321 174.699 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.4 39.12 Favored 'Trans proline' 0 C--N 1.32 -0.937 0 C-N-CA 122.58 2.187 . . . . 0.0 111.956 177.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.15 59.15 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.927 -177.504 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.52 47.41 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 117.355 -1.738 . . . . 0.0 109.843 -179.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.43 21.23 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 O-C-N 127.23 2.831 . . . . 0.0 110.339 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.46 79.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.383 -0.823 . . . . 0.0 110.754 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.04 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.262 1.025 . . . . 0.0 111.533 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.46 89.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 125.065 1.478 . . . . 0.0 109.288 178.504 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.78 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.99 0.359 . . . . 0.0 111.226 176.879 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.3 87.02 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 120.377 -1.452 . . . . 0.0 110.774 176.019 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.56 79.42 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 125.508 2.575 . . . . 0.0 109.008 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.53 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.43 17.93 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -175.629 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 123.112 2.687 . . . . 0.0 113.957 179.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.2 5.32 90.15 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.65 124.9 83.45 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.816 -1.154 . . . . 0.0 111.019 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.93 79.65 Favored 'Trans proline' 0 C--O 1.26 1.594 0 C-N-CA 123.139 2.559 . . . . 0.0 110.933 178.227 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.65 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.863 0.928 . . . . 0.0 113.427 -179.358 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.49 63.59 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 119.925 -1.735 . . . . 0.0 112.251 -177.46 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.79 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.474 -1.392 . . . . 0.0 112.027 178.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.7 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.323 2.011 . . . . 0.0 115.648 -177.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.95 23.93 Favored 'General case' 0 C--O 1.296 3.505 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.439 1.018 . . . . 0.0 109.952 -177.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 125.183 1.552 . . . . 0.0 111.856 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.67 18.87 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.513 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.807 177.372 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.51 61.07 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 128.364 2.888 . . . . 0.0 117.496 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.65 46.35 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.736 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 103.792 -2.67 . . . . 0.0 103.792 174.538 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.35 37.46 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.02 -175.863 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 140.01 36.68 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.13 1.519 . . . . 0.0 109.973 -177.722 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.833 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.85 85.26 Favored Glycine 0 CA--C 1.492 -1.393 0 N-CA-C 116.145 1.218 . . . . 0.0 116.145 -177.343 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.55 17.05 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 119.941 -1.917 . . . . 0.0 107.975 176.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.56 11.66 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.13 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.23 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 177.171 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.298 -1.761 . . . . 0.0 112.188 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.28 70.59 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 122.492 1.139 . . . . 0.0 110.718 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.65 51.54 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.955 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.41 18.54 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 121.58 1.991 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.72 116.45 30.4 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.103 -2.379 . . . . 0.0 106.164 175.858 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.129 2.143 . . . . 0.0 109.531 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 23.1 pttp -54.74 143.0 26.67 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.233 1.492 . . . . 0.0 109.282 -176.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.19 10.63 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.442 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.55 34.48 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.777 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.71 52.15 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.278 -0.867 . . . . 0.0 108.665 175.955 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.23 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 114.686 -2.578 . . . . 0.0 105.702 175.02 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.73 46.52 Favored 'General case' 0 C--N 1.285 -2.216 0 O-C-N 127.455 2.972 . . . . 0.0 105.856 177.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.88 30.95 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.678 -1.154 . . . . 0.0 111.519 176.576 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.21 139.88 28.79 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.122 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.198 0.523 . . . . 0.0 109.821 178.435 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.499 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.453 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.61 34.88 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 74' ' ' ARG . . . -140.79 112.68 7.67 Favored 'General case' 0 C--O 1.272 2.285 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -76.36 122.96 25.22 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 125.767 1.917 . . . . 0.0 109.809 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 72' ' ' ARG . . . -65.8 -40.2 91.66 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.778 -1.556 . . . . 0.0 108.871 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -66.05 156.75 49.61 Favored Glycine 0 C--O 1.243 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 115.061 -179.316 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.371 -2.35 . . . . 0.0 108.384 179.411 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.978 2.673 . . . . 0.0 108.93 178.319 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.397 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.658 1 O-C-N 130.472 4.857 . . . . 0.0 108.79 179.555 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.24 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 113.37 -3.205 . . . . 0.0 105.522 175.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.19 127.53 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.431 4.207 . . . . 0.0 108.028 -178.162 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.92 49.49 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.02 0.825 . . . . 0.0 112.61 -177.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.9 30.51 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.792 -2.363 . . . . 0.0 111.996 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.126 -1.609 . . . . 0.0 116.146 179.725 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.03 34.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 175.047 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.78 55.39 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.576 2.422 . . . . 0.0 106.005 176.182 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.95 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 127.559 3.037 . . . . 0.0 109.063 179.626 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.85 36.54 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 117.285 -1.766 . . . . 0.0 108.216 178.116 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.08 44.23 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.387 -2.244 . . . . 0.0 108.446 -179.192 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.91 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.993 1 O-C-N 129.185 4.053 . . . . 0.0 103.575 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.13 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.178 0 O-C-N 127.655 3.097 . . . . 0.0 111.235 -177.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.94 144.47 37.54 Favored Pre-proline 0 C--N 1.314 -0.952 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.359 174.721 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.49 39.17 Favored 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 122.564 2.176 . . . . 0.0 111.933 177.715 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.11 59.11 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.907 -177.505 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.1 148.52 47.39 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 117.376 -1.73 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.41 21.23 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.726 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.26 77.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 O-C-N 127.179 2.799 . . . . 0.0 110.373 175.765 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.47 79.0 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.4 -0.812 . . . . 0.0 110.707 176.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.44 87.01 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 124.323 1.049 . . . . 0.0 111.511 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.056 1.473 . . . . 0.0 109.305 178.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.86 -37.99 84.01 Favored 'General case' 0 C--O 1.256 1.409 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.28 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 118.027 0.376 . . . . 0.0 111.217 176.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.1 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.396 -1.44 . . . . 0.0 110.852 175.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.48 77.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.57 79.44 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.539 2.59 . . . . 0.0 108.991 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.72 66.56 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.767 179.118 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.629 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.41 8.09 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 123.121 2.692 . . . . 0.0 113.975 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.41 90.08 Favored Glycine 0 CA--C 1.478 -2.247 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.31 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.808 -1.157 . . . . 0.0 111.026 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.0 136.95 79.74 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.176 2.584 . . . . 0.0 110.904 178.198 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.2 -32.18 92.77 Favored 'Trans proline' 0 C--O 1.262 1.686 0 C-N-CA 120.683 0.922 . . . . 0.0 113.399 -179.365 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.52 63.61 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 119.99 -1.694 . . . . 0.0 112.211 -177.436 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.92 -10.41 28.84 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.559 -1.338 . . . . 0.0 112.001 178.695 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.72 34.77 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 124.289 1.995 . . . . 0.0 115.675 -177.678 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.94 23.95 Favored 'General case' 0 C--O 1.297 3.573 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 172.137 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.56 130.25 50.94 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.479 1.036 . . . . 0.0 109.994 -177.524 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.184 1.552 . . . . 0.0 111.892 -177.471 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.361 -2.088 . . . . 0.0 105.361 177.536 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.0 19.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.222 -2.263 . . . . 0.0 110.771 177.367 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.64 61.0 Favored Glycine 0 N--CA 1.433 -1.563 0 C-N-CA 128.333 2.873 . . . . 0.0 117.509 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.1 142.6 46.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.699 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.37 37.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 117.749 -1.12 . . . . 0.0 110.021 -175.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.85 140.01 36.71 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 125.047 1.467 . . . . 0.0 109.982 -177.79 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.55 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.734 3.605 . . . . 0.0 120.734 -175.82 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.86 85.27 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 116.079 1.192 . . . . 0.0 116.079 -177.315 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.55 17.03 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 119.984 -1.892 . . . . 0.0 107.997 176.514 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.5 164.57 11.65 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.1 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.26 79.29 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 177.156 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.048 0 C-N-CA 117.306 -1.758 . . . . 0.0 112.147 -179.517 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.454 1.121 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.61 51.63 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.014 179.268 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.45 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 121.518 1.963 . . . . 0.0 111.178 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.41 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.164 175.822 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 126.079 2.112 . . . . 0.0 109.528 -176.868 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 17.1 pttp -54.75 143.07 26.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 123.211 1.481 . . . . 0.0 109.255 -176.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.86 19.23 10.68 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.13 159.49 34.59 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.797 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.58 19.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.704 -2.57 . . . . 0.0 105.714 175.045 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.78 46.36 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.412 2.945 . . . . 0.0 105.853 177.956 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.783 0 CA-C-O 117.657 -1.163 . . . . 0.0 111.506 176.574 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.849 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 175.115 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.216 0.532 . . . . 0.0 109.783 178.472 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.4 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.16 38.21 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -157.65 132.16 8.43 Favored 'General case' 0 C--O 1.272 2.288 0 CA-C-O 113.375 -3.203 . . . . 0.0 105.526 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -72.69 160.16 32.67 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 125.79 1.931 . . . . 0.0 109.835 -179.563 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -142.39 -1.81 1.15 Allowed 'General case' 0 C--O 1.245 0.852 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.87 -179.464 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -61.09 -40.81 99.04 Favored Glycine 0 C--O 1.244 0.73 0 CA-C-N 114.698 -1.137 . . . . 0.0 115.093 -179.503 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.408 -2.329 . . . . 0.0 108.356 179.195 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 126.954 2.659 . . . . 0.0 108.931 178.312 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.382 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.432 4.833 . . . . 0.0 108.777 179.566 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.18 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 113.349 -3.215 . . . . 0.0 105.485 175.806 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.48 41.18 Favored 'General case' 0 N--CA 1.504 2.269 1 O-C-N 129.476 4.235 . . . . 0.0 108.076 -178.195 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.39 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.94 49.53 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.978 0.799 . . . . 0.0 112.611 -177.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.42 15.06 30.04 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.829 -2.348 . . . . 0.0 111.974 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.5 80.34 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.149 -1.594 . . . . 0.0 116.137 179.745 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.25 138.03 34.45 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 174.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.56 2.413 . . . . 0.0 106.009 176.143 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.04 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 127.571 3.045 . . . . 0.0 109.05 179.677 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.76 36.72 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.227 -1.789 . . . . 0.0 108.213 178.139 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.425 -179.219 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.79 121.23 44.52 Favored 'General case' 0 N--CA 1.5 2.029 1 O-C-N 129.256 4.097 . . . . 0.0 103.558 174.003 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.681 3.113 . . . . 0.0 111.219 -177.879 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.48 37.63 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.15 -2.295 . . . . 0.0 106.323 174.732 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.48 39.36 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 122.518 2.145 . . . . 0.0 112.007 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.872 -177.519 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.54 47.38 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 117.373 -1.731 . . . . 0.0 109.85 -179.058 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.42 21.24 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.24 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 O-C-N 127.157 2.786 . . . . 0.0 110.365 175.799 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.45 79.21 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.41 -0.807 . . . . 0.0 110.712 177.013 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.07 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.351 1.06 . . . . 0.0 111.484 -179.641 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.46 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.073 1.483 . . . . 0.0 109.276 178.561 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -37.99 83.68 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.02 87.18 Favored 'General case' 0 C--O 1.278 2.601 0 CA-C-N 118.011 0.369 . . . . 0.0 111.243 176.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.32 87.06 Favored 'General case' 0 C--O 1.256 1.406 0 O-C-N 120.429 -1.419 . . . . 0.0 110.794 176.019 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.5 77.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.57 79.43 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.465 2.555 . . . . 0.0 109.012 179.458 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.75 66.65 Favored 'General case' 0 C--O 1.254 1.295 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.765 179.109 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.41 17.99 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -175.629 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.36 8.08 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 123.121 2.691 . . . . 0.0 113.917 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.41 90.11 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.869 2.308 . . . . 0.0 118.869 176.546 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.85 83.28 Favored Pre-proline 0 C--O 1.243 0.721 0 C-N-CA 118.77 -1.172 . . . . 0.0 111.005 179.718 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.96 79.82 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.185 2.59 . . . . 0.0 110.895 178.221 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.716 0 C-N-CA 120.673 0.915 . . . . 0.0 113.421 -179.352 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.96 -1.713 . . . . 0.0 112.217 -177.461 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.48 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.49 -1.381 . . . . 0.0 112.045 178.671 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.68 34.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 124.349 2.023 . . . . 0.0 115.633 -177.71 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.89 Favored 'General case' 0 C--O 1.297 3.562 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.087 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.26 50.9 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 119.459 1.027 . . . . 0.0 109.973 -177.543 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.139 1.525 . . . . 0.0 111.867 -177.47 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.95 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.516 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 45.99 19.5 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.194 -2.275 . . . . 0.0 110.777 177.394 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.38 2.895 . . . . 0.0 117.504 -179.471 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.03 142.63 46.37 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.694 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.22 34.62 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 174.601 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.015 -175.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.04 36.68 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.019 1.449 . . . . 0.0 109.968 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.98 Favored 'General case' 0 C--O 1.265 1.911 0 N-CA-C 120.735 3.605 . . . . 0.0 120.735 -175.834 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.89 85.23 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 116.147 1.219 . . . . 0.0 116.147 -177.414 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.5 165.6 16.99 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 120.023 -1.869 . . . . 0.0 107.991 176.497 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.59 11.65 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.1 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.28 Favored 'General case' 0 C--O 1.202 -1.408 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.196 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.84 -29.69 70.86 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.181 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.55 -39.31 70.43 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 122.435 1.112 . . . . 0.0 110.733 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.67 51.48 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 117.676 -1.155 . . . . 0.0 113.006 179.299 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.32 18.37 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 121.544 1.974 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.047 0 CA-C-O 115.18 -2.343 . . . . 0.0 106.185 175.788 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.56 8.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 126.043 2.09 . . . . 0.0 109.5 -176.834 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.433 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 14.2 mttp -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.195 1.474 . . . . 0.0 109.306 -176.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.14 10.59 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 174.814 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.68 52.1 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.972 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 114.701 -2.571 . . . . 0.0 105.74 174.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.285 -2.233 0 O-C-N 127.391 2.932 . . . . 0.0 105.882 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.86 30.92 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.643 -1.17 . . . . 0.0 111.532 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.97 28.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 175.165 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.204 0.526 . . . . 0.0 109.845 178.433 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.502 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.587 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.12 36.93 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -130.0 162.93 27.58 Favored 'General case' 0 C--O 1.272 2.249 0 CA-C-O 113.424 -3.179 . . . . 0.0 105.472 178.523 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 59.38 148.82 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.876 0 O-C-N 125.779 1.924 . . . . 0.0 109.869 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 75' ' ' GLY . . . -153.05 -16.24 0.15 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.768 -1.56 . . . . 0.0 108.826 -179.438 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . -168.41 171.79 42.73 Favored Glycine 0 C--O 1.243 0.689 0 CA-C-N 114.697 -1.138 . . . . 0.0 115.051 -179.261 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 CA-C-O 116.391 -2.339 . . . . 0.0 108.345 179.383 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 126.991 2.682 . . . . 0.0 108.938 178.355 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.07 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.433 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.97 140.15 49.54 Favored 'General case' 0 N--CA 1.512 2.655 1 O-C-N 130.477 4.861 . . . . 0.0 108.784 179.555 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 CA-C-O 113.427 -3.178 . . . . 0.0 105.519 175.825 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.24 Favored 'General case' 0 N--CA 1.505 2.32 1 O-C-N 129.406 4.191 . . . . 0.0 108.043 -178.145 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.38 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.91 49.35 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.062 0.851 . . . . 0.0 112.582 -177.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.828 -2.349 . . . . 0.0 112.023 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.45 80.4 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.106 -1.621 . . . . 0.0 116.114 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.95 131.75 55.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 126.594 2.434 . . . . 0.0 106.037 176.156 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.43 141.99 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.558 3.036 . . . . 0.0 109.019 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.58 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 117.211 -1.796 . . . . 0.0 108.215 178.134 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 153.98 44.35 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.448 -179.214 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.21 44.44 Favored 'General case' 0 N--CA 1.499 1.988 1 O-C-N 129.166 4.041 . . . . 0.0 103.577 174.032 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.698 3.124 . . . . 0.0 111.205 -177.869 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.316 174.656 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.45 39.59 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.534 2.156 . . . . 0.0 111.94 177.735 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.862 -177.515 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.49 47.49 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 117.383 -1.727 . . . . 0.0 109.876 -179.016 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.39 21.29 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.696 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.11 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 O-C-N 127.178 2.799 . . . . 0.0 110.404 175.752 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.43 79.02 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.318 -0.864 . . . . 0.0 110.729 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.91 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.93 83.66 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.76 -179.741 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.08 87.34 Favored 'General case' 0 C--O 1.279 2.625 0 CA-C-N 117.977 0.353 . . . . 0.0 111.206 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.26 86.88 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.342 -1.474 . . . . 0.0 110.812 176.024 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.51 77.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 179.897 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.13 -48.64 79.2 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.508 2.575 . . . . 0.0 109.002 179.414 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.69 66.63 Favored 'General case' 0 C--O 1.254 1.308 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.76 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.41 17.93 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -175.655 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.36 8.12 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 123.152 2.706 . . . . 0.0 113.987 179.821 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.43 90.11 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.511 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.009 179.676 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.06 137.0 79.97 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.171 2.581 . . . . 0.0 110.909 178.193 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.73 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.718 0.945 . . . . 0.0 113.393 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.807 0 O-C-N 119.938 -1.726 . . . . 0.0 112.189 -177.432 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.49 28.8 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.529 -1.357 . . . . 0.0 112.049 178.664 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.86 129.75 34.76 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 124.306 2.003 . . . . 0.0 115.621 -177.644 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.84 -2.282 . . . . 0.0 104.84 172.133 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.3 51.08 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 119.466 1.03 . . . . 0.0 109.974 -177.576 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.131 1.519 . . . . 0.0 111.897 -177.545 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.69 18.97 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.516 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.97 19.44 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.768 177.4 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.58 61.19 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 128.291 2.853 . . . . 0.0 117.457 -179.531 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 177.673 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.569 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.44 37.49 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.004 -175.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 139.94 36.83 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.708 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.2 29.52 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 120.699 3.592 . . . . 0.0 120.699 -175.834 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.87 85.26 Favored Glycine 0 CA--C 1.492 -1.356 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 -177.279 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.54 17.05 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 120.028 -1.866 . . . . 0.0 107.99 176.509 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.54 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.154 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.197 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.92 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.151 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.29 70.64 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 122.454 1.121 . . . . 0.0 110.764 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.44 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.991 179.259 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.39 18.41 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 121.526 1.966 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.035 0 CA-C-O 115.074 -2.394 . . . . 0.0 106.18 175.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.48 169.5 8.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.12 2.138 . . . . 0.0 109.516 -176.864 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.523 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.69 143.05 26.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.215 1.483 . . . . 0.0 109.292 -176.924 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.494 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.52 34.58 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 174.75 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.74 52.26 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.65 19.1 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.713 -2.565 . . . . 0.0 105.712 175.046 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.45 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.411 2.944 . . . . 0.0 105.907 177.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.06 115.86 30.92 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.523 176.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.93 28.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.149 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.165 0.507 . . . . 0.0 109.87 178.424 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.502 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 137.92 34.43 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . -146.56 113.49 6.12 Favored 'General case' 0 C--O 1.273 2.305 0 CA-C-O 113.369 -3.205 . . . . 0.0 105.548 -179.765 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -102.84 131.53 49.67 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.798 1.936 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -62.58 150.96 39.14 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.866 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.99 -170.32 42.88 Favored Glycine 0 C--O 1.244 0.746 0 CA-C-N 114.643 -1.162 . . . . 0.0 115.1 -179.458 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 116.398 -2.334 . . . . 0.0 108.362 179.158 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.25 31.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.908 2.63 . . . . 0.0 108.912 178.309 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.03 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 173.375 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.19 49.49 Favored 'General case' 0 N--CA 1.513 2.686 1 O-C-N 130.449 4.843 . . . . 0.0 108.733 179.614 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 113.368 -3.206 . . . . 0.0 105.468 175.837 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.21 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.458 4.224 . . . . 0.0 108.081 -178.192 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.7 8.42 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.38 -6.98 49.69 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.077 0.86 . . . . 0.0 112.598 -177.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 115.838 -2.345 . . . . 0.0 112.004 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.53 80.31 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.117 -1.614 . . . . 0.0 116.138 179.759 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.08 34.42 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 174.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.79 55.34 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.659 2.474 . . . . 0.0 106.063 176.177 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.0 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.624 3.077 . . . . 0.0 109.055 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.83 36.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.272 -1.771 . . . . 0.0 108.228 178.126 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.02 44.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.343 -2.265 . . . . 0.0 108.458 -179.191 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.18 44.33 Favored 'General case' 0 N--CA 1.499 1.997 1 O-C-N 129.229 4.08 . . . . 0.0 103.559 173.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.63 15.82 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.678 3.111 . . . . 0.0 111.184 -177.87 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.54 37.73 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.137 -2.301 . . . . 0.0 106.363 174.655 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.39 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.503 2.135 . . . . 0.0 111.984 177.752 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.14 59.15 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.897 -177.509 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.45 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 117.348 -1.741 . . . . 0.0 109.826 -179.007 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.4 21.25 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.716 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.19 -37.29 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 127.201 2.813 . . . . 0.0 110.386 175.795 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.43 79.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.352 -0.842 . . . . 0.0 110.737 176.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.47 86.99 Favored 'General case' 0 C--O 1.248 1.0 0 C-N-CA 124.374 1.069 . . . . 0.0 111.507 -179.626 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.38 -46.45 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.062 1.476 . . . . 0.0 109.277 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.75 -38.03 83.81 Favored 'General case' 0 C--O 1.256 1.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.05 87.21 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-N 118.002 0.364 . . . . 0.0 111.186 176.875 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.438 -1.414 . . . . 0.0 110.833 176.021 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.4 77.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.27 -48.58 79.27 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.514 2.578 . . . . 0.0 109.043 179.468 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.49 -41.74 66.58 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.707 179.132 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.36 17.96 Favored 'General case' 0 C--O 1.279 2.653 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -175.639 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.33 8.09 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.094 2.679 . . . . 0.0 113.95 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.11 Favored Glycine 0 CA--C 1.478 -2.276 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.494 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.86 83.25 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.995 179.747 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.96 79.74 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 123.139 2.559 . . . . 0.0 110.922 178.21 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.13 92.71 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 122.879 0.936 . . . . 0.0 113.376 -179.32 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.62 63.65 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.98 -1.7 . . . . 0.0 112.205 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.46 29.0 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.507 -1.371 . . . . 0.0 112.05 178.711 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 124.311 2.005 . . . . 0.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.92 23.93 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 172.126 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.28 50.96 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.427 1.012 . . . . 0.0 110.0 -177.57 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.128 1.517 . . . . 0.0 111.926 -177.531 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.69 18.9 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.505 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.97 19.54 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.274 -2.239 . . . . 0.0 110.814 177.39 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 21.51 61.09 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.378 2.894 . . . . 0.0 117.523 -179.444 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.62 46.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.7 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.68 130.27 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 174.56 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.36 37.49 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.734 -1.126 . . . . 0.0 110.031 -175.895 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 140.0 36.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.047 1.467 . . . . 0.0 109.977 -177.747 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.25 29.29 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.737 3.606 . . . . 0.0 120.737 -175.788 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.84 -8.88 85.27 Favored Glycine 0 CA--C 1.491 -1.42 0 N-CA-C 116.085 1.194 . . . . 0.0 116.085 -177.362 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.45 165.53 17.09 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.003 -1.881 . . . . 0.0 107.969 176.528 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.54 11.68 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.121 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.22 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.136 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.58 70.74 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.16 -179.481 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.57 -39.33 70.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.457 1.123 . . . . 0.0 110.717 179.791 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.42 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.967 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.98 45.28 18.34 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 121.596 1.998 . . . . 0.0 111.159 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.37 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.126 -2.369 . . . . 0.0 106.105 175.867 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 126.087 2.117 . . . . 0.0 109.489 -176.86 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -54.75 143.04 26.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.231 1.491 . . . . 0.0 109.281 -176.937 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.63 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.787 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.76 52.31 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.64 19.11 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 114.668 -2.587 . . . . 0.0 105.717 175.01 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.44 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 127.448 2.968 . . . . 0.0 105.854 177.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.475 176.598 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.12 139.9 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.068 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.158 0.504 . . . . 0.0 109.848 178.473 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.575 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.28 33.91 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -121.82 170.09 10.11 Favored 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.503 -179.391 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -151.25 128.76 11.41 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.768 1.918 . . . . 0.0 109.859 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -89.72 120.76 31.26 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.827 -179.289 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -87.84 -177.27 47.95 Favored Glycine 0 C--O 1.243 0.717 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.082 -179.346 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.407 -2.33 . . . . 0.0 108.364 179.172 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 126.987 2.679 . . . . 0.0 108.952 178.305 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.04 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.245 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.691 173.394 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.19 49.48 Favored 'General case' 0 N--CA 1.512 2.66 1 O-C-N 130.471 4.857 . . . . 0.0 108.82 179.556 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.05 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 113.382 -3.199 . . . . 0.0 105.516 175.807 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.5 41.26 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.408 4.192 . . . . 0.0 108.08 -178.176 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.78 8.36 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.844 -1.074 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.5 -6.9 49.34 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.084 0.865 . . . . 0.0 112.576 -177.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.41 14.99 30.25 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.762 -2.375 . . . . 0.0 111.994 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.47 80.35 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.147 -1.595 . . . . 0.0 116.131 179.763 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.23 138.03 34.43 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 174.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.72 55.33 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 126.644 2.465 . . . . 0.0 106.03 176.155 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.44 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.623 3.077 . . . . 0.0 109.0 179.668 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.221 -1.792 . . . . 0.0 108.225 178.12 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 153.99 44.23 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.318 -2.277 . . . . 0.0 108.451 -179.186 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.18 44.37 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.265 4.103 . . . . 0.0 103.531 174.004 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.62 15.88 Favored 'Isoleucine or valine' 0 C--O 1.252 1.188 0 O-C-N 127.731 3.144 . . . . 0.0 111.218 -177.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.49 37.66 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.183 -2.281 . . . . 0.0 106.269 174.699 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.47 39.03 Favored 'Trans proline' 0 C--N 1.319 -0.982 0 C-N-CA 122.554 2.169 . . . . 0.0 111.961 177.687 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.19 59.15 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.918 -177.525 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.99 148.5 47.58 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.885 -179.056 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.42 21.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.702 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.21 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 127.213 2.821 . . . . 0.0 110.353 175.806 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.66 -40.39 79.24 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.342 -0.848 . . . . 0.0 110.753 176.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.58 -44.45 86.63 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 124.367 1.067 . . . . 0.0 111.565 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.44 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 125.061 1.475 . . . . 0.0 109.275 178.524 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.99 83.88 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.809 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.95 86.99 Favored 'General case' 0 C--O 1.279 2.63 0 CA-C-N 117.967 0.348 . . . . 0.0 111.214 176.863 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 120.396 -1.44 . . . . 0.0 110.789 176.027 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.46 77.42 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.22 -48.6 79.26 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.534 2.588 . . . . 0.0 109.016 179.463 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.62 66.64 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.743 179.132 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.66 -24.39 17.9 Favored 'General case' 0 C--O 1.28 2.671 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -175.634 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.32 8.09 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 123.178 2.717 . . . . 0.0 113.97 179.818 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.34 90.15 Favored Glycine 0 CA--C 1.477 -2.314 0 N-CA-C 118.871 2.309 . . . . 0.0 118.871 176.539 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.89 83.26 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.95 79.64 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.169 2.579 . . . . 0.0 110.906 178.251 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.8 Favored 'Trans proline' 0 C--O 1.262 1.685 0 O-C-N 122.857 0.925 . . . . 0.0 113.43 -179.331 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.59 63.64 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.956 -1.715 . . . . 0.0 112.249 -177.482 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.77 -10.55 28.83 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 120.459 -1.401 . . . . 0.0 112.023 178.692 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.76 34.78 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.338 2.018 . . . . 0.0 115.664 -177.66 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.31 115.94 23.91 Favored 'General case' 0 C--O 1.295 3.498 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.142 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.489 1.04 . . . . 0.0 110.001 -177.595 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.03 131.83 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.763 0 O-C-N 125.159 1.537 . . . . 0.0 111.951 -177.522 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.72 18.94 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.542 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.97 19.39 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.775 177.406 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.58 61.21 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 128.398 2.904 . . . . 0.0 117.5 -179.497 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.66 46.35 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.703 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 174.601 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.011 -175.9 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.99 36.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.052 1.47 . . . . 0.0 109.967 -177.747 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.28 -42.16 29.93 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.8 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.84 85.25 Favored Glycine 0 CA--C 1.491 -1.414 0 N-CA-C 116.095 1.198 . . . . 0.0 116.095 -177.323 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.57 17.0 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.969 -1.9 . . . . 0.0 107.969 176.554 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.67 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.129 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.2 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.178 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.58 70.73 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.289 -1.765 . . . . 0.0 112.18 -179.447 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.64 -39.3 70.67 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.453 1.12 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.41 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 117.673 -1.156 . . . . 0.0 112.997 179.261 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.34 18.4 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.598 1.999 . . . . 0.0 111.166 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.39 30.29 Favored 'Isoleucine or valine' 0 C--O 1.269 2.082 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.165 175.818 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 126.127 2.142 . . . . 0.0 109.544 -176.917 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -54.72 143.02 26.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.242 1.496 . . . . 0.0 109.223 -176.853 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.13 10.61 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 117.889 2.552 . . . . 0.0 117.889 179.437 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 174.825 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.71 52.2 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.944 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.61 19.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.731 -2.557 . . . . 0.0 105.726 174.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.77 46.44 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 127.387 2.929 . . . . 0.0 105.89 177.969 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.795 0 CA-C-O 117.621 -1.181 . . . . 0.0 111.526 176.588 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.92 28.55 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.578 -2.749 . . . . 0.0 103.578 175.17 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.162 0.506 . . . . 0.0 109.858 178.447 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.575 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.425 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 68.9 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' H ' ' H71' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.07 35.67 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -124.89 148.31 48.36 Favored 'General case' 0 C--O 1.271 2.23 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.539 -178.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -162.84 -144.42 0.09 Allowed 'General case' 0 C--N 1.293 -1.887 0 O-C-N 125.837 1.961 . . . . 0.0 109.844 179.959 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 70.19 174.16 0.3 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 113.746 -1.57 . . . . 0.0 108.846 -179.267 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' HZ3' ' B' ' 63' ' ' LYS . . . -177.32 -175.03 44.24 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 114.643 -1.162 . . . . 0.0 115.113 -179.527 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.449 0 CA-C-O 116.356 -2.358 . . . . 0.0 108.361 179.313 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.0 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 126.997 2.685 . . . . 0.0 108.899 178.347 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.09 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 173.407 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.2 49.47 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.457 4.848 . . . . 0.0 108.77 179.585 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.515 175.81 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.47 41.23 Favored 'General case' 0 N--CA 1.504 2.274 1 O-C-N 129.411 4.195 . . . . 0.0 108.077 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.98 49.78 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.076 0.86 . . . . 0.0 112.584 -177.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.05 30.05 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 115.826 -2.349 . . . . 0.0 111.995 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.48 80.34 Favored Glycine 0 C--N 1.297 -1.617 0 O-C-N 120.106 -1.621 . . . . 0.0 116.145 179.787 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.1 34.38 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 174.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.78 55.31 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 126.571 2.419 . . . . 0.0 106.05 176.144 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 127.579 3.05 . . . . 0.0 109.018 179.689 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.5 139.78 36.69 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 117.244 -1.782 . . . . 0.0 108.223 178.134 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.05 44.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.417 -179.204 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.179 4.049 . . . . 0.0 103.548 174.028 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.64 15.74 Favored 'Isoleucine or valine' 0 C--O 1.252 1.197 0 O-C-N 127.693 3.12 . . . . 0.0 111.2 -177.9 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.5 37.7 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.312 174.725 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.94 -24.45 39.37 Favored 'Trans proline' 0 C--N 1.319 -1.002 0 C-N-CA 122.586 2.191 . . . . 0.0 111.904 177.713 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.15 59.16 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.897 -177.467 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.43 47.62 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 117.374 -1.73 . . . . 0.0 109.864 -179.05 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.38 21.28 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.729 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.25 77.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 127.245 2.841 . . . . 0.0 110.369 175.77 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.65 -40.41 79.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.383 -0.823 . . . . 0.0 110.713 177.042 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.49 86.92 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 124.304 1.042 . . . . 0.0 111.517 -179.637 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.43 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.037 1.461 . . . . 0.0 109.345 178.484 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.76 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.802 -179.82 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.11 87.43 Favored 'General case' 0 C--O 1.279 2.647 0 CA-C-N 117.992 0.36 . . . . 0.0 111.184 176.926 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.34 87.13 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 120.384 -1.448 . . . . 0.0 110.826 175.982 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.45 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.62 79.19 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.524 2.583 . . . . 0.0 108.988 179.51 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.73 66.49 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.734 179.139 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.4 17.94 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.66 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.37 8.09 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.143 2.701 . . . . 0.0 114.003 179.782 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.36 90.14 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.883 2.313 . . . . 0.0 118.883 176.505 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.85 83.39 Favored Pre-proline 0 C--O 1.243 0.748 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.998 179.726 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.9 79.43 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.164 2.576 . . . . 0.0 110.929 178.178 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.14 92.73 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.858 0.925 . . . . 0.0 113.389 -179.373 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.264 1.822 0 O-C-N 119.955 -1.715 . . . . 0.0 112.164 -177.443 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.473 -1.392 . . . . 0.0 112.07 178.69 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.67 34.78 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.34 2.019 . . . . 0.0 115.615 -177.66 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.98 24.05 Favored 'General case' 0 C--O 1.296 3.551 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 172.153 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.66 130.3 51.1 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.51 1.05 . . . . 0.0 109.987 -177.56 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.83 72.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 O-C-N 125.203 1.564 . . . . 0.0 111.877 -177.482 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.65 18.93 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.491 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.96 19.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 112.263 -2.244 . . . . 0.0 110.747 177.355 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.61 61.1 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.346 2.879 . . . . 0.0 117.449 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.691 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.29 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.538 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.32 37.43 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.021 -175.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.82 139.98 36.73 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.03 1.457 . . . . 0.0 109.933 -177.762 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.27 29.0 Favored 'General case' 0 C--O 1.265 1.912 0 N-CA-C 120.638 3.57 . . . . 0.0 120.638 -175.791 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.83 -8.89 85.26 Favored Glycine 0 CA--C 1.491 -1.429 0 N-CA-C 116.15 1.22 . . . . 0.0 116.15 -177.326 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.57 17.03 Favored 'General case' 0 C--O 1.25 1.122 0 O-C-N 119.94 -1.917 . . . . 0.0 108.0 176.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.59 11.65 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.24 79.26 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.83 -29.66 70.83 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.194 -179.464 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.58 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 122.487 1.137 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.97 4.61 51.56 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.986 179.272 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.36 18.43 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 121.571 1.987 . . . . 0.0 111.21 179.861 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.043 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.177 175.834 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 126.069 2.106 . . . . 0.0 109.522 -176.835 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.504 ' CD ' ' H ' ' B' ' 63' ' ' LYS . 20.9 pttm -54.68 143.01 26.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.18 1.467 . . . . 0.0 109.242 -176.906 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.455 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.73 52.24 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.898 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.728 174.985 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.76 46.41 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.421 2.95 . . . . 0.0 105.894 177.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.823 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.524 176.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.9 28.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 175.114 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.197 0.522 . . . . 0.0 109.858 178.419 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.425 ' S1 ' ' O ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.448 ' H71' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.611 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 80.0 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.597 ' O ' ' H61' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.5 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.73 36.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -150.32 -160.12 1.13 Allowed 'General case' 0 C--O 1.272 2.287 0 CA-C-O 113.437 -3.173 . . . . 0.0 105.508 -175.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 55.92 75.77 0.32 Allowed 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.763 1.914 . . . . 0.0 109.833 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -59.96 -38.11 81.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.882 -179.879 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.36 -7.52 59.99 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-N 114.701 -1.136 . . . . 0.0 115.089 -179.555 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 116.351 -2.361 . . . . 0.0 108.343 179.242 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.21 31.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 126.928 2.642 . . . . 0.0 108.941 178.328 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 173.394 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.673 1 O-C-N 130.495 4.872 . . . . 0.0 108.769 179.574 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.21 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 113.433 -3.175 . . . . 0.0 105.489 175.79 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.16 127.48 41.24 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.381 4.176 . . . . 0.0 108.063 -178.169 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.88 49.18 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.017 0.823 . . . . 0.0 112.572 -177.953 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.778 -2.369 . . . . 0.0 112.015 179.911 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.44 80.34 Favored Glycine 0 C--N 1.297 -1.604 0 O-C-N 120.072 -1.642 . . . . 0.0 116.088 179.742 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 174.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.87 131.78 55.36 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.587 2.429 . . . . 0.0 106.038 176.145 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 127.555 3.035 . . . . 0.0 109.039 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.42 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 117.248 -1.781 . . . . 0.0 108.237 178.144 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.22 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 115.375 -2.25 . . . . 0.0 108.461 -179.22 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.22 44.45 Favored 'General case' 0 N--CA 1.5 2.043 1 O-C-N 129.201 4.063 . . . . 0.0 103.527 174.009 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 O-C-N 127.687 3.117 . . . . 0.0 111.233 -177.957 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.163 -2.29 . . . . 0.0 106.362 174.658 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.42 39.26 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 122.578 2.185 . . . . 0.0 111.974 177.705 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.2 59.17 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.935 -177.52 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.01 148.47 47.59 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.328 -1.749 . . . . 0.0 109.841 -179.027 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.75 160.45 21.26 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 175.718 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 O-C-N 127.174 2.796 . . . . 0.0 110.393 175.776 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.401 -0.812 . . . . 0.0 110.745 176.983 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.47 87.01 Favored 'General case' 0 C--O 1.248 1.013 0 C-N-CA 124.343 1.057 . . . . 0.0 111.494 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.36 -46.41 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 125.108 1.505 . . . . 0.0 109.318 178.525 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.98 83.77 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.759 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.05 87.3 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-N 118.022 0.373 . . . . 0.0 111.252 176.853 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.19 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.369 -1.457 . . . . 0.0 110.801 175.999 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.42 77.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.914 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.57 79.39 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.494 2.569 . . . . 0.0 109.015 179.445 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.68 66.59 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 113.671 -1.604 . . . . 0.0 111.721 179.149 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.48 17.95 Favored 'General case' 0 C--O 1.28 2.682 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.676 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.36 8.1 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 123.166 2.712 . . . . 0.0 113.956 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.37 90.1 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.906 2.322 . . . . 0.0 118.906 176.543 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.75 124.83 83.3 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.93 79.55 Favored 'Trans proline' 0 C--O 1.26 1.591 0 C-N-CA 123.167 2.578 . . . . 0.0 110.914 178.206 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.74 Favored 'Trans proline' 0 C--O 1.262 1.691 0 C-N-CA 120.697 0.932 . . . . 0.0 113.46 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.797 0 O-C-N 119.967 -1.708 . . . . 0.0 112.201 -177.467 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.507 -1.371 . . . . 0.0 112.026 178.689 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.77 129.74 34.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 124.306 2.003 . . . . 0.0 115.663 -177.638 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.94 23.91 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 172.157 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.29 51.06 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 119.493 1.042 . . . . 0.0 109.992 -177.568 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.83 72.3 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.144 1.527 . . . . 0.0 111.924 -177.489 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.28 129.66 18.88 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.515 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.47 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.241 -2.254 . . . . 0.0 110.792 177.384 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.57 61.07 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 128.389 2.9 . . . . 0.0 117.499 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.724 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.3 34.6 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 103.835 -2.654 . . . . 0.0 103.835 174.509 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.007 -175.892 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.092 1.495 . . . . 0.0 109.963 -177.741 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.32 -42.15 30.28 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.682 3.586 . . . . 0.0 120.682 -175.801 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.85 85.24 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.113 1.205 . . . . 0.0 116.113 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.51 165.52 17.05 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 120.029 -1.865 . . . . 0.0 107.987 176.512 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.53 11.69 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.112 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.18 79.12 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.163 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.6 70.75 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 117.314 -1.754 . . . . 0.0 112.124 -179.423 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 122.405 1.097 . . . . 0.0 110.699 179.768 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.71 51.42 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.983 179.286 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.3 18.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.569 1.986 . . . . 0.0 111.185 179.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.4 30.26 Favored 'Isoleucine or valine' 0 C--O 1.267 2.022 0 CA-C-O 115.128 -2.367 . . . . 0.0 106.161 175.864 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.5 8.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.097 2.123 . . . . 0.0 109.555 -176.848 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 38.2 ttpt -54.73 142.99 26.64 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.207 1.479 . . . . 0.0 109.26 -176.932 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.09 10.58 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 117.927 2.566 . . . . 0.0 117.927 179.491 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.49 34.61 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 174.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.15 126.66 52.11 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.952 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 114.722 -2.561 . . . . 0.0 105.73 174.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.75 46.44 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.414 2.946 . . . . 0.0 105.862 177.919 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.489 176.56 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.19 139.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.084 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.235 0.54 . . . . 0.0 109.804 178.489 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.611 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.597 ' H61' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.7 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 135.99 37.11 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -156.01 -162.59 1.32 Allowed 'General case' 0 C--O 1.272 2.25 0 CA-C-O 113.394 -3.193 . . . . 0.0 105.492 179.028 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 55.67 157.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.905 0 O-C-N 125.798 1.936 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 63.72 74.3 0.42 Allowed 'General case' 0 C--O 1.246 0.884 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.838 -179.198 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.15 9.1 4.77 Favored Glycine 0 C--O 1.243 0.684 0 CA-C-N 114.668 -1.151 . . . . 0.0 115.077 -179.498 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.42 -2.322 . . . . 0.0 108.361 179.242 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 126.991 2.682 . . . . 0.0 108.896 178.333 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 162.98 38.24 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.385 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.84 140.22 49.44 Favored 'General case' 0 N--CA 1.512 2.641 1 O-C-N 130.468 4.855 . . . . 0.0 108.789 179.58 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.22 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.49 175.86 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.48 41.22 Favored 'General case' 0 N--CA 1.505 2.276 1 O-C-N 129.416 4.197 . . . . 0.0 108.048 -178.173 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.76 8.37 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.75 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.071 0.857 . . . . 0.0 112.582 -177.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.834 -2.346 . . . . 0.0 112.041 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.137 -1.602 . . . . 0.0 116.126 179.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.06 34.4 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.002 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.82 55.37 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 126.588 2.43 . . . . 0.0 106.02 176.165 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 127.557 3.036 . . . . 0.0 109.071 179.609 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.77 36.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 117.278 -1.769 . . . . 0.0 108.201 178.129 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.04 44.24 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.39 -179.181 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.47 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.197 4.061 . . . . 0.0 103.597 173.963 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.7 15.69 Favored 'Isoleucine or valine' 0 C--O 1.251 1.168 0 O-C-N 127.619 3.075 . . . . 0.0 111.229 -177.869 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.35 174.645 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.46 39.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 122.545 2.163 . . . . 0.0 111.973 177.674 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.899 -177.507 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.54 47.47 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.329 -1.748 . . . . 0.0 109.904 -179.072 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.708 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 O-C-N 127.169 2.793 . . . . 0.0 110.351 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.2 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.382 -0.824 . . . . 0.0 110.707 177.021 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.93 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.339 1.056 . . . . 0.0 111.5 -179.6 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.33 -46.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.086 1.491 . . . . 0.0 109.302 178.529 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.98 83.85 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.01 87.11 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-N 117.977 0.353 . . . . 0.0 111.21 176.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.31 -37.28 86.95 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 120.367 -1.458 . . . . 0.0 110.833 175.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.44 77.38 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.55 79.5 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.486 2.565 . . . . 0.0 109.019 179.486 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.64 66.68 Favored 'General case' 0 C--O 1.254 1.328 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.728 179.137 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.65 -24.38 17.91 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -175.702 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.142 2.701 . . . . 0.0 113.964 179.789 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.41 90.13 Favored Glycine 0 CA--C 1.478 -2.271 0 N-CA-C 118.916 2.326 . . . . 0.0 118.916 176.561 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.29 Favored Pre-proline 0 C--O 1.243 0.718 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.029 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.58 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.147 2.565 . . . . 0.0 110.91 178.175 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.08 92.55 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 122.877 0.935 . . . . 0.0 113.427 -179.408 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.27 -15.53 63.6 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.969 -1.707 . . . . 0.0 112.227 -177.413 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.84 -10.51 28.77 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.502 -1.374 . . . . 0.0 112.032 178.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.325 2.012 . . . . 0.0 115.585 -177.575 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.87 23.83 Favored 'General case' 0 C--O 1.296 3.516 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.103 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.53 130.3 50.9 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.461 1.028 . . . . 0.0 109.971 -177.555 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.14 131.83 72.32 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 125.128 1.517 . . . . 0.0 111.878 -177.475 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.64 18.89 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.01 19.51 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 112.245 -2.252 . . . . 0.0 110.768 177.394 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.5 61.11 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.296 2.855 . . . . 0.0 117.553 -179.49 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.62 46.4 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.708 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.32 37.5 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.029 -175.895 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.96 36.77 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.061 1.476 . . . . 0.0 109.973 -177.735 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.17 -42.19 29.01 Favored 'General case' 0 C--O 1.265 1.907 0 N-CA-C 120.698 3.592 . . . . 0.0 120.698 -175.781 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.87 85.23 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.117 1.207 . . . . 0.0 116.117 -177.341 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.59 17.02 Favored 'General case' 0 C--O 1.249 1.079 0 O-C-N 119.983 -1.893 . . . . 0.0 108.029 176.463 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.59 164.59 11.65 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.091 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.17 79.21 Favored 'General case' 0 C--O 1.203 -1.39 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.165 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.64 70.81 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.331 -1.748 . . . . 0.0 112.164 -179.453 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.53 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.459 1.123 . . . . 0.0 110.759 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.69 51.45 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 117.695 -1.145 . . . . 0.0 112.997 179.254 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.34 18.61 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-N 121.538 1.972 . . . . 0.0 111.196 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.033 0 CA-C-O 115.105 -2.379 . . . . 0.0 106.165 175.807 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.45 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.174 2.171 . . . . 0.0 109.506 -176.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -54.75 143.02 26.64 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 123.205 1.479 . . . . 0.0 109.242 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.12 10.62 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 179.45 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.54 34.51 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 174.788 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.71 52.24 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 175.923 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.22 154.66 19.1 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 114.721 -2.561 . . . . 0.0 105.706 174.995 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.66 135.78 46.45 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 127.398 2.936 . . . . 0.0 105.872 177.951 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.85 30.9 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.609 -1.186 . . . . 0.0 111.502 176.558 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.93 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.104 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.173 0.511 . . . . 0.0 109.875 178.393 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.497 ' S1 ' ' O ' ' A' ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.416 ' H ' ' H41' ' A' ' 101' ' ' MTN . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.498 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.9 38.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -113.61 4.57 16.17 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 113.401 -3.19 . . . . 0.0 105.517 -179.374 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 56.99 155.17 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.886 0 O-C-N 125.794 1.934 . . . . 0.0 109.838 -179.698 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.37 -48.86 76.15 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 113.812 -1.54 . . . . 0.0 108.857 -179.357 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . 68.42 -163.31 49.15 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.673 -1.149 . . . . 0.0 115.007 -179.277 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.477 0 CA-C-O 116.386 -2.341 . . . . 0.0 108.352 179.235 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.486 ' H ' ' HE2' ' B' ' 63' ' ' LYS . . . -91.0 138.22 31.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 126.943 2.652 . . . . 0.0 108.941 178.279 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.02 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 173.361 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.667 1 O-C-N 130.436 4.835 . . . . 0.0 108.784 179.571 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.17 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.482 175.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.52 41.19 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.422 4.201 . . . . 0.0 108.039 -178.132 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.79 8.35 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.9 49.33 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.053 0.846 . . . . 0.0 112.601 -177.952 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 115.838 -2.345 . . . . 0.0 111.972 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.38 80.38 Favored Glycine 0 C--N 1.297 -1.598 0 O-C-N 120.097 -1.627 . . . . 0.0 116.113 179.732 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.11 34.33 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 174.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.77 55.31 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 126.629 2.456 . . . . 0.0 106.031 176.162 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.96 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 127.606 3.066 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.73 36.66 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.232 178.14 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.38 154.0 44.17 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.439 -179.188 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.22 4.075 . . . . 0.0 103.587 173.974 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.62 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.706 3.128 . . . . 0.0 111.202 -177.91 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.54 37.77 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.295 174.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.98 -24.41 39.41 Favored 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 122.497 2.131 . . . . 0.0 111.944 177.698 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.19 59.16 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.875 -177.498 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.98 148.51 47.58 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.83 160.37 21.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.746 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.23 77.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.152 2.782 . . . . 0.0 110.382 175.738 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.49 79.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.389 -0.82 . . . . 0.0 110.736 176.941 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.43 -44.5 87.13 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 124.302 1.041 . . . . 0.0 111.568 -179.659 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.44 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.044 1.465 . . . . 0.0 109.302 178.491 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.83 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.721 -179.761 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.09 87.38 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 118.029 0.377 . . . . 0.0 111.232 176.916 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.26 86.87 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.448 -1.407 . . . . 0.0 110.819 176.026 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.01 -39.44 77.37 Favored 'Isoleucine or valine' 0 C--O 1.253 1.249 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.948 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.45 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.559 2.599 . . . . 0.0 109.002 179.471 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.63 66.65 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.39 17.94 Favored 'General case' 0 C--O 1.279 2.632 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -175.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.39 8.07 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.111 2.687 . . . . 0.0 113.981 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.16 Favored Glycine 0 CA--C 1.478 -2.225 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.525 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.67 124.86 83.41 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.062 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.35 Favored 'Trans proline' 0 C--O 1.259 1.535 0 C-N-CA 123.153 2.568 . . . . 0.0 110.935 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.07 92.59 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.871 0.932 . . . . 0.0 113.405 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.948 -1.72 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.515 -1.366 . . . . 0.0 112.009 178.703 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.77 34.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 124.311 2.005 . . . . 0.0 115.629 -177.611 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.33 115.95 23.9 Favored 'General case' 0 C--O 1.296 3.503 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 172.129 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.414 1.006 . . . . 0.0 109.968 -177.524 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 O-C-N 125.111 1.507 . . . . 0.0 111.92 -177.508 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.92 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 177.514 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.68 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.813 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.56 61.13 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 128.366 2.888 . . . . 0.0 117.464 -179.524 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.6 46.41 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 174.525 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.55 138.37 37.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.019 -175.896 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.98 36.77 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 125.042 1.464 . . . . 0.0 109.976 -177.776 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.19 -42.21 29.24 Favored 'General case' 0 C--O 1.265 1.893 0 N-CA-C 120.744 3.609 . . . . 0.0 120.744 -175.85 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.83 85.3 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.56 17.01 Favored 'General case' 0 C--O 1.25 1.112 0 O-C-N 120.04 -1.859 . . . . 0.0 107.988 176.518 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 177.111 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.158 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.96 -29.58 70.73 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.323 -1.751 . . . . 0.0 112.175 -179.444 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.35 70.52 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 122.466 1.127 . . . . 0.0 110.698 179.766 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.69 51.39 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.969 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.33 18.59 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.599 1.999 . . . . 0.0 111.236 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.41 30.27 Favored 'Isoleucine or valine' 0 C--O 1.268 2.034 0 CA-C-O 115.212 -2.328 . . . . 0.0 106.157 175.826 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.5 8.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 126.078 2.111 . . . . 0.0 109.467 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.486 ' HE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -54.72 142.99 26.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.176 1.465 . . . . 0.0 109.296 -176.937 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.03 19.1 10.57 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.919 2.562 . . . . 0.0 117.919 179.508 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.747 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.17 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.663 176.015 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.65 19.09 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.695 -2.574 . . . . 0.0 105.741 174.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.78 46.42 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.421 2.95 . . . . 0.0 105.885 177.947 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.82 30.85 Favored 'General case' 0 C--O 1.282 2.793 0 CA-C-O 117.636 -1.173 . . . . 0.0 111.471 176.592 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 175.105 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.213 0.53 . . . . 0.0 109.833 178.459 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.498 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.462 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 140.1 31.27 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' LEU . . . 107.65 74.81 0.0 OUTLIER 'General case' 0 C--O 1.272 2.261 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.558 -179.22 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -64.76 -42.29 95.25 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 125.812 1.945 . . . . 0.0 109.793 -179.77 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -156.79 154.06 29.32 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 113.738 -1.574 . . . . 0.0 108.892 -179.357 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -96.34 -171.45 34.99 Favored Glycine 0 C--O 1.244 0.727 0 CA-C-N 114.67 -1.15 . . . . 0.0 115.067 -179.428 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.537 1.457 0 CA-C-O 116.346 -2.363 . . . . 0.0 108.349 179.231 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.992 2.683 . . . . 0.0 108.941 178.319 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 CA-C-O 115.972 -1.966 . . . . 0.0 105.698 173.365 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.11 49.56 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.421 4.825 . . . . 0.0 108.759 179.583 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.02 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.508 175.815 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.51 41.28 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.377 4.173 . . . . 0.0 108.036 -178.156 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.91 49.44 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.039 0.837 . . . . 0.0 112.61 -177.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 115.796 -2.362 . . . . 0.0 111.989 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.51 80.27 Favored Glycine 0 C--N 1.297 -1.61 0 O-C-N 120.083 -1.636 . . . . 0.0 116.158 179.785 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.45 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.97 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.81 55.36 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.614 2.447 . . . . 0.0 106.005 176.135 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.53 3.019 . . . . 0.0 109.072 179.621 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.45 139.75 36.69 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.241 -1.784 . . . . 0.0 108.233 178.129 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.03 44.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 115.349 -2.262 . . . . 0.0 108.456 -179.205 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.4 Favored 'General case' 0 N--CA 1.498 1.971 1 O-C-N 129.183 4.052 . . . . 0.0 103.568 174.021 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.251 1.161 0 O-C-N 127.697 3.123 . . . . 0.0 111.226 -177.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 112.174 -2.284 . . . . 0.0 106.309 174.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.41 39.39 Favored 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 122.587 2.192 . . . . 0.0 111.951 177.664 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 118.07 -0.966 . . . . 0.0 110.876 -177.463 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.08 148.53 47.4 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 117.381 -1.728 . . . . 0.0 109.876 -179.047 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.686 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.29 -37.26 77.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 127.203 2.814 . . . . 0.0 110.39 175.791 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.43 79.19 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.742 176.976 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.48 87.11 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 124.288 1.035 . . . . 0.0 111.525 -179.652 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.41 89.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 125.038 1.461 . . . . 0.0 109.311 178.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.95 83.75 Favored 'General case' 0 C--O 1.257 1.459 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.02 87.05 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.032 0.378 . . . . 0.0 111.229 176.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.2 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 120.422 -1.424 . . . . 0.0 110.795 176.021 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.93 -39.54 77.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.6 79.37 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.474 2.559 . . . . 0.0 108.995 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.74 66.55 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.703 179.182 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.37 17.97 Favored 'General case' 0 C--O 1.279 2.62 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -175.65 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.61 -6.4 8.07 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 123.075 2.671 . . . . 0.0 113.962 179.795 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.477 -2.293 0 N-CA-C 118.906 2.323 . . . . 0.0 118.906 176.551 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.69 124.84 83.39 Favored Pre-proline 0 C--O 1.243 0.711 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.006 179.696 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.87 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.138 2.559 . . . . 0.0 110.911 178.218 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.13 92.77 Favored 'Trans proline' 0 C--O 1.263 1.725 0 C-N-CA 120.71 0.94 . . . . 0.0 113.398 -179.337 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.56 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.956 -1.715 . . . . 0.0 112.205 -177.446 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.89 -10.44 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.532 -1.355 . . . . 0.0 112.087 178.672 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.75 34.77 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.339 2.018 . . . . 0.0 115.616 -177.621 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.28 115.93 23.9 Favored 'General case' 0 C--O 1.296 3.506 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 172.049 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.97 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.439 1.018 . . . . 0.0 109.986 -177.579 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.13 1.519 . . . . 0.0 111.931 -177.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.67 18.95 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 177.509 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.01 19.48 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 112.311 -2.222 . . . . 0.0 110.761 177.408 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.6 61.04 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.324 2.869 . . . . 0.0 117.517 -179.518 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.08 142.66 46.34 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 177.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.71 130.26 34.61 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.588 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.34 37.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.04 -175.885 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.72 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 125.051 1.469 . . . . 0.0 109.969 -177.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.21 29.61 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.813 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.85 85.26 Favored Glycine 0 CA--C 1.491 -1.415 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 -177.391 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.58 17.03 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 120.0 -1.882 . . . . 0.0 108.019 176.493 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.51 11.7 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 177.145 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.25 79.29 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.136 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.59 70.77 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 117.31 -1.756 . . . . 0.0 112.163 -179.447 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.3 70.66 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 122.483 1.135 . . . . 0.0 110.767 179.758 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.72 51.36 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 117.642 -1.17 . . . . 0.0 112.975 179.245 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.36 18.59 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 121.568 1.985 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.24 Favored 'Isoleucine or valine' 0 C--O 1.268 2.053 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.182 175.838 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.39 169.47 8.52 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.565 -176.878 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.572 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.7 143.0 26.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.217 1.484 . . . . 0.0 109.23 -176.946 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.14 10.63 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 179.433 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.03 159.51 34.61 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.791 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.68 52.12 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.942 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.64 19.09 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 114.68 -2.581 . . . . 0.0 105.722 174.999 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.76 46.45 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 127.463 2.977 . . . . 0.0 105.895 177.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.642 -1.171 . . . . 0.0 111.496 176.575 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.91 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.137 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.41 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' O ' ' H82' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' LEU . . . -96.06 139.1 32.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 107.87 147.04 0.0 OUTLIER 'General case' 0 C--O 1.272 2.282 0 CA-C-O 113.412 -3.185 . . . . 0.0 105.525 -179.058 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -167.37 -74.33 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.899 0 O-C-N 125.777 1.923 . . . . 0.0 109.809 -179.429 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -134.25 138.49 45.09 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.877 -179.509 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -147.53 -120.06 1.15 Allowed Glycine 0 C--O 1.243 0.681 0 CA-C-N 114.663 -1.153 . . . . 0.0 115.069 -179.347 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.474 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.391 179.252 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 126.976 2.672 . . . . 0.0 108.891 178.336 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.1 163.02 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 173.433 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.18 49.48 Favored 'General case' 0 N--CA 1.512 2.659 1 O-C-N 130.494 4.871 . . . . 0.0 108.744 179.598 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.03 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.547 175.808 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.46 41.16 Favored 'General case' 0 N--CA 1.504 2.254 1 O-C-N 129.41 4.194 . . . . 0.0 108.082 -178.165 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.96 49.71 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.007 0.817 . . . . 0.0 112.585 -177.952 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.853 -2.339 . . . . 0.0 112.017 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.45 80.36 Favored Glycine 0 C--N 1.297 -1.595 0 O-C-N 120.191 -1.568 . . . . 0.0 116.115 179.781 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 174.992 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 126.614 2.446 . . . . 0.0 106.036 176.167 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 127.592 3.058 . . . . 0.0 109.056 179.673 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.78 36.67 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 117.216 -1.794 . . . . 0.0 108.246 178.07 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.02 44.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.356 -2.259 . . . . 0.0 108.432 -179.19 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.18 44.35 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.211 4.069 . . . . 0.0 103.567 174.007 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.66 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.67 3.106 . . . . 0.0 111.219 -177.885 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.51 37.76 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.306 174.684 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.91 -24.46 39.16 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.581 2.187 . . . . 0.0 111.928 177.753 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.877 -177.518 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.06 148.47 47.49 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.339 -1.744 . . . . 0.0 109.857 -179.026 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.39 21.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.28 77.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 127.16 2.787 . . . . 0.0 110.375 175.77 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.58 -40.44 79.01 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.396 -0.815 . . . . 0.0 110.732 176.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.5 86.81 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.362 1.065 . . . . 0.0 111.523 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.38 89.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 125.085 1.49 . . . . 0.0 109.291 178.509 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.84 -37.94 83.78 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.05 87.07 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 117.989 0.359 . . . . 0.0 111.204 176.858 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.2 -37.36 87.18 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.395 -1.441 . . . . 0.0 110.817 176.011 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.49 77.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.54 79.51 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 125.555 2.598 . . . . 0.0 109.003 179.47 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.54 -41.72 66.72 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.75 179.138 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.42 17.94 Favored 'General case' 0 C--O 1.279 2.649 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 -175.642 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.53 -6.33 8.12 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 123.105 2.684 . . . . 0.0 113.982 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.44 90.12 Favored Glycine 0 CA--C 1.478 -2.274 0 N-CA-C 118.897 2.319 . . . . 0.0 118.897 176.534 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.87 83.28 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.95 79.67 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.126 2.551 . . . . 0.0 110.935 178.222 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.17 92.75 Favored 'Trans proline' 0 C--O 1.262 1.701 0 C-N-CA 120.716 0.944 . . . . 0.0 113.417 -179.383 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 119.981 -1.699 . . . . 0.0 112.19 -177.429 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.481 -1.387 . . . . 0.0 112.06 178.71 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 124.294 1.997 . . . . 0.0 115.669 -177.648 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.2 115.9 23.9 Favored 'General case' 0 C--O 1.296 3.547 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.139 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.54 130.21 50.89 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.456 1.025 . . . . 0.0 109.979 -177.561 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 O-C-N 125.152 1.533 . . . . 0.0 111.913 -177.546 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.65 18.96 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.485 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 45.98 19.6 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.794 177.398 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.56 61.02 Favored Glycine 0 N--CA 1.433 -1.562 0 C-N-CA 128.324 2.868 . . . . 0.0 117.535 -179.449 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.687 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.26 34.61 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.55 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.38 37.49 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.737 -1.125 . . . . 0.0 110.035 -175.9 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.02 36.7 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 125.054 1.471 . . . . 0.0 109.982 -177.75 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.3 -42.13 30.11 Favored 'General case' 0 C--O 1.265 1.903 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 -175.831 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.83 85.26 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -177.307 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.01 -1.877 . . . . 0.0 107.977 176.514 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.157 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.117 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.63 70.79 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.296 -1.762 . . . . 0.0 112.138 -179.49 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.32 70.49 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.419 1.104 . . . . 0.0 110.666 179.816 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.62 51.48 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 117.7 -1.143 . . . . 0.0 112.998 179.293 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.4 18.4 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.529 1.968 . . . . 0.0 111.184 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.183 175.812 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 126.086 2.116 . . . . 0.0 109.517 -176.866 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -54.74 143.05 26.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.24 1.495 . . . . 0.0 109.23 -176.92 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.92 19.16 10.64 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 179.453 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 174.797 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.23 126.73 52.21 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.955 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.73 -2.557 . . . . 0.0 105.695 175.063 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.81 46.39 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 127.348 2.905 . . . . 0.0 105.934 177.896 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.1 115.84 30.88 Favored 'General case' 0 C--O 1.282 2.815 0 CA-C-O 117.594 -1.193 . . . . 0.0 111.488 176.611 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 175.114 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.2 0.524 . . . . 0.0 109.866 178.384 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.498 ' H82' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 139.74 31.8 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -149.93 -164.07 1.93 Allowed 'General case' 0 C--O 1.272 2.259 0 CA-C-O 113.393 -3.194 . . . . 0.0 105.495 -179.448 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 58.89 64.7 1.36 Allowed 'General case' 0 C--N 1.292 -1.9 0 O-C-N 125.787 1.93 . . . . 0.0 109.847 -179.642 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -63.59 -41.27 98.37 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 113.765 -1.561 . . . . 0.0 108.844 -179.315 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.96 159.22 26.46 Favored Glycine 0 C--O 1.243 0.69 0 CA-C-N 114.662 -1.153 . . . . 0.0 115.065 -179.467 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 CA-C-O 116.368 -2.351 . . . . 0.0 108.344 179.157 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 126.968 2.668 . . . . 0.0 108.941 178.28 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.05 38.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.411 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.436 4.835 . . . . 0.0 108.792 179.564 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.22 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.417 -3.182 . . . . 0.0 105.543 175.808 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.18 127.48 41.27 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.349 4.156 . . . . 0.0 108.035 -178.142 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.46 170.75 8.4 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.843 -1.075 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.97 49.73 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.033 0.833 . . . . 0.0 112.584 -177.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 15.02 30.16 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 115.82 -2.352 . . . . 0.0 111.992 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.48 80.31 Favored Glycine 0 C--N 1.296 -1.641 0 O-C-N 120.16 -1.588 . . . . 0.0 116.126 179.757 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 174.935 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.589 2.431 . . . . 0.0 105.993 176.157 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.629 3.081 . . . . 0.0 109.083 179.609 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.8 36.59 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.185 178.16 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.01 44.26 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 115.331 -2.271 . . . . 0.0 108.416 -179.193 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.15 44.27 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.229 4.081 . . . . 0.0 103.523 173.995 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.64 15.86 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 O-C-N 127.711 3.132 . . . . 0.0 111.208 -177.918 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.53 37.74 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 112.143 -2.299 . . . . 0.0 106.3 174.724 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.43 39.33 Favored 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 122.566 2.177 . . . . 0.0 111.953 177.713 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.11 59.14 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.894 -177.487 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.47 47.52 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.875 -179.046 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.41 21.25 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 175.658 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.28 77.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 127.155 2.784 . . . . 0.0 110.425 175.722 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.36 79.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.409 -0.807 . . . . 0.0 110.71 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.56 -44.46 86.67 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 124.336 1.055 . . . . 0.0 111.504 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.26 -46.52 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 125.076 1.485 . . . . 0.0 109.272 178.527 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.93 83.69 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.08 87.37 Favored 'General case' 0 C--O 1.279 2.643 0 CA-C-N 117.967 0.348 . . . . 0.0 111.227 176.889 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.31 87.03 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.41 -1.432 . . . . 0.0 110.796 176.02 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.264 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.907 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.6 79.27 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.527 2.584 . . . . 0.0 109.022 179.445 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.46 -41.74 66.46 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.762 179.178 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 -175.693 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.4 8.1 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 123.133 2.697 . . . . 0.0 113.97 179.808 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.36 90.13 Favored Glycine 0 CA--C 1.477 -2.309 0 N-CA-C 118.885 2.314 . . . . 0.0 118.885 176.552 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.72 124.83 83.34 Favored Pre-proline 0 C--O 1.244 0.769 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.05 179.662 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.99 136.95 79.73 Favored 'Trans proline' 0 C--O 1.259 1.575 0 C-N-CA 123.142 2.562 . . . . 0.0 110.894 178.213 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.13 92.67 Favored 'Trans proline' 0 C--O 1.261 1.66 0 O-C-N 122.873 0.933 . . . . 0.0 113.398 -179.35 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.977 -1.702 . . . . 0.0 112.23 -177.461 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.551 -1.343 . . . . 0.0 112.036 178.714 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.71 34.77 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 124.351 2.024 . . . . 0.0 115.658 -177.699 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 116.0 24.05 Favored 'General case' 0 C--O 1.296 3.508 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.139 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.98 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 119.422 1.01 . . . . 0.0 109.972 -177.591 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.147 1.529 . . . . 0.0 111.876 -177.535 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.65 18.91 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.521 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.94 19.65 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.302 -2.227 . . . . 0.0 110.758 177.406 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.57 60.94 Favored Glycine 0 N--CA 1.433 -1.524 0 C-N-CA 128.374 2.892 . . . . 0.0 117.505 -179.505 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.63 46.38 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.655 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.805 -2.665 . . . . 0.0 103.805 174.58 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.38 37.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 117.723 -1.132 . . . . 0.0 110.041 -175.884 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 140.01 36.72 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 125.074 1.484 . . . . 0.0 109.999 -177.765 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.16 29.71 Favored 'General case' 0 C--O 1.265 1.889 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.803 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.95 -8.85 85.22 Favored Glycine 0 CA--C 1.492 -1.344 0 N-CA-C 116.099 1.2 . . . . 0.0 116.099 -177.303 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.028 -1.866 . . . . 0.0 108.024 176.478 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.54 11.68 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.117 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.24 79.23 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.162 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.223 -179.511 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.28 70.54 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.452 1.12 . . . . 0.0 110.715 179.73 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.03 4.66 51.52 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.914 179.353 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.87 45.39 18.49 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.579 1.99 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.44 30.33 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.138 -2.363 . . . . 0.0 106.184 175.815 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.05 2.094 . . . . 0.0 109.56 -176.856 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 143.03 26.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.186 1.47 . . . . 0.0 109.26 -176.911 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 67.01 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.395 0 N-CA-C 117.878 2.547 . . . . 0.0 117.878 179.483 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.5 34.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.75 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.67 52.11 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.656 -2.592 . . . . 0.0 105.731 175.002 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.37 Favored 'General case' 0 C--N 1.285 -2.201 0 O-C-N 127.461 2.976 . . . . 0.0 105.885 177.923 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.767 0 CA-C-O 117.628 -1.177 . . . . 0.0 111.532 176.566 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 175.125 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 178.462 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 137.36 35.25 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -95.17 -17.21 21.96 Favored 'General case' 0 C--O 1.273 2.307 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.502 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . 60.78 144.5 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 O-C-N 125.819 1.949 . . . . 0.0 109.816 -179.988 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -158.67 157.49 31.92 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 113.8 -1.545 . . . . 0.0 108.83 -179.32 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.2 93.08 0.09 OUTLIER Glycine 0 C--O 1.243 0.696 0 CA-C-N 114.671 -1.149 . . . . 0.0 115.091 -179.43 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.488 0 CA-C-O 116.362 -2.354 . . . . 0.0 108.353 179.323 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.06 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 126.936 2.648 . . . . 0.0 108.93 178.294 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.04 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 173.368 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.18 49.49 Favored 'General case' 0 N--CA 1.512 2.63 1 O-C-N 130.479 4.862 . . . . 0.0 108.773 179.585 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.28 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 113.406 -3.187 . . . . 0.0 105.512 175.79 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.51 41.25 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.403 4.189 . . . . 0.0 108.071 -178.179 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.72 8.4 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -6.97 49.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.023 0.827 . . . . 0.0 112.612 -177.964 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 15.0 30.23 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.758 -2.377 . . . . 0.0 111.989 179.962 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.52 80.33 Favored Glycine 0 C--N 1.297 -1.629 0 O-C-N 120.095 -1.628 . . . . 0.0 116.141 179.745 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.03 34.48 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 174.964 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 126.543 2.402 . . . . 0.0 105.998 176.159 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 127.552 3.033 . . . . 0.0 109.086 179.615 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.51 139.76 36.73 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 117.288 -1.765 . . . . 0.0 108.281 178.122 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.06 44.15 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.449 -179.191 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 2.013 1 O-C-N 129.203 4.065 . . . . 0.0 103.587 174.003 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.61 15.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 O-C-N 127.684 3.115 . . . . 0.0 111.274 -177.937 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.54 37.79 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 112.207 -2.27 . . . . 0.0 106.341 174.705 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.4 39.62 Favored 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 111.972 177.684 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.11 59.13 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.916 -177.522 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.04 148.5 47.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.41 21.2 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 175.734 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.29 77.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 127.232 2.832 . . . . 0.0 110.372 175.803 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.59 -40.48 79.14 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.367 -0.833 . . . . 0.0 110.734 176.979 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.4 87.15 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 124.349 1.06 . . . . 0.0 111.526 -179.625 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.45 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 125.06 1.475 . . . . 0.0 109.273 178.532 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.99 83.84 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.802 -179.751 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.07 87.35 Favored 'General case' 0 C--O 1.279 2.635 0 CA-C-N 117.978 0.354 . . . . 0.0 111.227 176.841 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.28 86.94 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 120.401 -1.437 . . . . 0.0 110.795 176.024 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.928 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.6 79.23 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 125.492 2.568 . . . . 0.0 109.007 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.38 -41.83 66.28 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.734 179.137 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.54 -24.41 17.98 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.64 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.34 8.07 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 123.124 2.693 . . . . 0.0 113.922 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.12 Favored Glycine 0 CA--C 1.477 -2.285 0 N-CA-C 118.862 2.305 . . . . 0.0 118.862 176.522 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.87 83.34 Favored Pre-proline 0 C--O 1.244 0.791 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.989 179.726 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.05 136.97 79.83 Favored 'Trans proline' 0 C--O 1.258 1.519 0 C-N-CA 123.189 2.593 . . . . 0.0 110.892 178.187 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.65 Favored 'Trans proline' 0 C--O 1.262 1.698 0 C-N-CA 120.672 0.915 . . . . 0.0 113.37 -179.344 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 119.984 -1.697 . . . . 0.0 112.204 -177.437 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.53 28.75 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.534 -1.354 . . . . 0.0 112.043 178.678 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.76 34.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.335 2.017 . . . . 0.0 115.647 -177.601 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.3 115.93 23.88 Favored 'General case' 0 C--O 1.296 3.514 0 N-CA-C 104.91 -2.256 . . . . 0.0 104.91 172.115 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.485 1.039 . . . . 0.0 109.962 -177.547 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.119 1.512 . . . . 0.0 111.913 -177.491 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.17 129.72 19.05 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.482 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.98 19.4 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.289 -2.232 . . . . 0.0 110.718 177.349 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.59 60.97 Favored Glycine 0 N--CA 1.432 -1.573 0 C-N-CA 128.349 2.88 . . . . 0.0 117.451 -179.555 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.02 142.69 46.29 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.66 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.78 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.533 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.37 37.49 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.006 -175.864 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 139.98 36.73 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 125.091 1.495 . . . . 0.0 109.977 -177.732 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.19 29.77 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -175.81 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.84 85.29 Favored Glycine 0 CA--C 1.492 -1.384 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.372 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.004 -1.88 . . . . 0.0 107.988 176.514 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.6 11.64 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.151 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.29 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.144 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.58 70.74 Favored 'General case' 0 C--O 1.267 1.999 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.169 -179.464 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.65 -39.25 70.65 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.462 1.125 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.66 51.54 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.709 -1.139 . . . . 0.0 113.01 179.268 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.35 18.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.528 1.967 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 CA-C-O 115.097 -2.382 . . . . 0.0 106.183 175.784 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.52 8.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.151 2.157 . . . . 0.0 109.545 -176.861 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -54.73 143.02 26.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.248 1.499 . . . . 0.0 109.288 -176.941 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.98 19.14 10.62 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.938 2.57 . . . . 0.0 117.938 179.515 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.11 159.54 34.52 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 174.795 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.24 126.7 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.9 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.703 -2.57 . . . . 0.0 105.729 174.998 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.61 135.74 46.47 Favored 'General case' 0 C--N 1.286 -2.181 0 O-C-N 127.418 2.949 . . . . 0.0 105.873 177.929 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.8 30.82 Favored 'General case' 0 C--O 1.282 2.781 0 CA-C-O 117.598 -1.191 . . . . 0.0 111.526 176.577 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.076 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 178.479 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.552 ' SG ' ' H2 ' ' A' ' 101' ' ' MTN . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -122.59 140.05 53.24 Favored 'General case' 0 C--O 1.272 2.257 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.492 179.107 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -77.96 151.29 33.74 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 125.813 1.946 . . . . 0.0 109.813 -179.781 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -60.73 -42.72 97.89 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.759 -1.564 . . . . 0.0 108.865 -179.431 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 73' ' ' LEU . . . 89.19 179.41 45.51 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 114.667 -1.151 . . . . 0.0 115.053 -179.502 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 CA-C-O 116.394 -2.337 . . . . 0.0 108.355 179.256 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.1 138.22 31.76 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 126.959 2.662 . . . . 0.0 108.935 178.313 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.07 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.378 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.513 2.684 1 O-C-N 130.442 4.839 . . . . 0.0 108.766 179.58 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.1 114.23 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.497 175.843 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.52 41.29 Favored 'General case' 0 N--CA 1.504 2.258 1 O-C-N 129.379 4.174 . . . . 0.0 108.057 -178.174 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.4 -7.03 49.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.023 0.827 . . . . 0.0 112.621 -177.976 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.33 14.98 30.27 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.957 179.957 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.49 80.32 Favored Glycine 0 C--N 1.297 -1.614 0 O-C-N 120.121 -1.612 . . . . 0.0 116.132 179.711 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.32 138.06 34.48 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.02 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.84 131.8 55.39 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.621 2.451 . . . . 0.0 106.011 176.166 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.52 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 127.621 3.075 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.4 139.74 36.65 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.192 178.143 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.41 154.05 44.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.378 -2.248 . . . . 0.0 108.437 -179.193 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.25 44.53 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.188 4.055 . . . . 0.0 103.527 174.001 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.11 170.64 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 127.632 3.082 . . . . 0.0 111.232 -177.937 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.53 37.76 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.17 -2.286 . . . . 0.0 106.284 174.729 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -55.01 -24.42 39.76 Favored 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 122.502 2.135 . . . . 0.0 111.959 177.682 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.14 59.13 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.886 -177.504 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.49 47.54 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.89 -179.043 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.42 21.19 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.24 -37.26 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 O-C-N 127.232 2.832 . . . . 0.0 110.334 175.776 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.43 79.05 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.349 -0.844 . . . . 0.0 110.755 176.993 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.39 86.99 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 124.323 1.049 . . . . 0.0 111.521 -179.651 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.4 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 125.098 1.499 . . . . 0.0 109.305 178.547 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -38.0 83.93 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.616 0 CA-C-N 117.973 0.351 . . . . 0.0 111.226 176.884 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 87.01 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 120.383 -1.448 . . . . 0.0 110.819 176.014 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.5 77.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.225 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.869 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.16 -48.58 79.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 125.552 2.596 . . . . 0.0 108.995 179.487 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.73 66.54 Favored 'General case' 0 C--O 1.254 1.298 0 CA-C-N 113.648 -1.614 . . . . 0.0 111.75 179.179 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.41 17.93 Favored 'General case' 0 C--O 1.279 2.624 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -175.638 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 123.08 2.673 . . . . 0.0 113.929 179.833 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 5.39 90.09 Favored Glycine 0 CA--C 1.478 -2.267 0 N-CA-C 118.852 2.301 . . . . 0.0 118.852 176.511 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.79 124.84 83.22 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.829 -1.148 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.566 0 C-N-CA 123.126 2.551 . . . . 0.0 110.909 178.229 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.19 92.82 Favored 'Trans proline' 0 C--O 1.262 1.685 0 C-N-CA 120.713 0.942 . . . . 0.0 113.409 -179.351 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.19 -15.54 63.62 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 120.001 -1.687 . . . . 0.0 112.232 -177.422 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.85 -10.49 28.79 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.455 -1.403 . . . . 0.0 112.072 178.699 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.26 1.981 . . . . 0.0 115.626 -177.637 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.93 23.96 Favored 'General case' 0 C--O 1.296 3.51 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 172.082 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.31 51.01 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.417 1.008 . . . . 0.0 109.983 -177.591 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.1 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 O-C-N 125.14 1.525 . . . . 0.0 111.881 -177.512 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.5 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.51 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 112.244 -2.253 . . . . 0.0 110.744 177.35 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.6 60.94 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.352 2.882 . . . . 0.0 117.51 -179.515 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 177.73 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.25 34.61 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 174.539 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.32 37.51 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 117.72 -1.133 . . . . 0.0 110.02 -175.882 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.02 36.68 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 125.092 1.495 . . . . 0.0 109.937 -177.744 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.27 -42.18 29.89 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.833 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.492 -1.378 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.315 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.54 165.57 16.99 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 119.967 -1.902 . . . . 0.0 107.981 176.487 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.62 11.62 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.094 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.24 79.29 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.161 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.57 70.73 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.154 -179.482 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.34 70.62 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.474 1.131 . . . . 0.0 110.737 179.724 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.68 51.42 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.695 -1.145 . . . . 0.0 113.016 179.262 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.3 18.43 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.532 1.969 . . . . 0.0 111.195 179.857 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.6 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.15 175.832 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.37 169.49 8.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.12 2.138 . . . . 0.0 109.497 -176.827 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 39.2 ttmt -54.76 143.0 26.77 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.199 1.476 . . . . 0.0 109.271 -176.92 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.99 19.19 10.6 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 179.42 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.765 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.95 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.15 154.62 19.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 114.74 -2.552 . . . . 0.0 105.739 174.985 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.64 135.79 46.42 Favored 'General case' 0 C--N 1.286 -2.19 0 O-C-N 127.398 2.936 . . . . 0.0 105.905 177.94 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.282 2.779 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.509 176.587 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.23 139.94 28.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 103.567 -2.753 . . . . 0.0 103.567 175.128 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.183 0.516 . . . . 0.0 109.815 178.486 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.552 ' H2 ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 132.13 41.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . 179.1 173.84 0.75 Allowed 'General case' 0 C--O 1.273 2.294 0 CA-C-O 113.363 -3.208 . . . . 0.0 105.531 174.262 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 74.69 79.95 0.11 Allowed 'General case' 0 C--N 1.292 -1.912 0 O-C-N 125.807 1.942 . . . . 0.0 109.871 -178.703 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 75' ' ' GLY . . . -152.82 -12.31 0.16 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 113.798 -1.546 . . . . 0.0 108.844 -179.362 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . -93.46 -170.51 39.21 Favored Glycine 0 C--O 1.244 0.726 0 CA-C-N 114.708 -1.133 . . . . 0.0 115.126 -179.404 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.401 -2.333 . . . . 0.0 108.407 179.198 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 126.936 2.648 . . . . 0.0 108.886 178.31 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.379 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.26 49.42 Favored 'General case' 0 N--CA 1.512 2.629 1 O-C-N 130.469 4.855 . . . . 0.0 108.802 179.518 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 113.447 -3.168 . . . . 0.0 105.476 175.824 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.422 4.201 . . . . 0.0 108.064 -178.164 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.89 49.24 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.004 0.815 . . . . 0.0 112.581 -177.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 115.821 -2.352 . . . . 0.0 111.991 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.53 80.3 Favored Glycine 0 C--N 1.298 -1.579 0 O-C-N 120.133 -1.604 . . . . 0.0 116.108 179.76 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.02 34.49 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 174.969 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.89 131.76 55.34 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.607 2.442 . . . . 0.0 106.013 176.123 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.96 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 127.616 3.073 . . . . 0.0 109.077 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.78 36.6 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.253 178.126 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.44 154.0 44.27 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.39 -2.243 . . . . 0.0 108.414 -179.165 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.84 121.22 44.46 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.193 4.058 . . . . 0.0 103.625 173.951 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.697 3.123 . . . . 0.0 111.206 -177.876 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 112.114 -2.312 . . . . 0.0 106.332 174.676 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.45 39.17 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.591 2.194 . . . . 0.0 111.963 177.689 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.1 59.13 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.868 -177.493 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.48 47.51 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 117.345 -1.742 . . . . 0.0 109.878 -179.089 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.43 21.24 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.699 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 O-C-N 127.221 2.826 . . . . 0.0 110.374 175.779 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.41 79.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.292 -0.88 . . . . 0.0 110.773 176.957 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.46 87.04 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.3 1.04 . . . . 0.0 111.532 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.066 1.479 . . . . 0.0 109.352 178.484 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.82 -37.96 83.8 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.08 87.32 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 118.048 0.385 . . . . 0.0 111.198 176.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.98 Favored 'General case' 0 C--O 1.256 1.404 0 O-C-N 120.368 -1.458 . . . . 0.0 110.793 176.015 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.925 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.53 79.55 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 125.487 2.565 . . . . 0.0 109.013 179.454 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.55 -41.68 66.71 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.746 179.155 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.57 -24.46 17.94 Favored 'General case' 0 C--O 1.279 2.639 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.696 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.37 8.09 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 123.122 2.692 . . . . 0.0 113.973 179.792 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 5.42 90.1 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.54 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.021 179.708 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.93 79.57 Favored 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 123.191 2.594 . . . . 0.0 110.9 178.211 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.18 92.8 Favored 'Trans proline' 0 C--O 1.263 1.731 0 O-C-N 122.906 0.951 . . . . 0.0 113.394 -179.362 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.54 63.62 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.976 -1.702 . . . . 0.0 112.225 -177.445 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.83 -10.49 28.84 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.477 -1.39 . . . . 0.0 112.014 178.694 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.69 34.78 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.378 2.037 . . . . 0.0 115.606 -177.621 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.22 115.98 24.04 Favored 'General case' 0 C--O 1.295 3.499 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 172.119 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.68 130.27 51.13 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 119.454 1.024 . . . . 0.0 109.997 -177.508 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 O-C-N 125.23 1.581 . . . . 0.0 111.912 -177.486 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.543 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 46.06 19.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.774 177.399 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.59 60.85 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.319 2.866 . . . . 0.0 117.505 -179.502 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.59 46.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.675 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.65 130.23 34.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.796 -2.668 . . . . 0.0 103.796 174.564 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.728 -1.13 . . . . 0.0 110.023 -175.883 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.07 1.481 . . . . 0.0 109.938 -177.69 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.22 29.68 Favored 'General case' 0 C--O 1.266 1.931 0 N-CA-C 120.711 3.597 . . . . 0.0 120.711 -175.827 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.94 -8.82 85.28 Favored Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 -177.367 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.54 17.03 Favored 'General case' 0 C--O 1.25 1.086 0 O-C-N 119.952 -1.91 . . . . 0.0 108.032 176.487 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.66 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 177.134 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.15 -36.24 79.25 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.162 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.63 70.8 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.176 -179.48 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.31 70.52 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 122.498 1.142 . . . . 0.0 110.775 179.698 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.01 4.65 51.5 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.007 179.271 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.9 45.37 18.43 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 121.549 1.977 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.164 175.831 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.111 2.132 . . . . 0.0 109.535 -176.868 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -54.74 143.06 26.47 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 123.208 1.48 . . . . 0.0 109.272 -176.906 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.22 10.67 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 179.465 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 174.819 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.63 52.05 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.965 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.14 154.62 19.11 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.73 174.995 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.4 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 127.408 2.943 . . . . 0.0 105.87 177.919 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.79 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.552 176.541 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.13 139.94 28.46 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.102 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.188 0.518 . . . . 0.0 109.85 178.4 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.446 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.583 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 136.84 35.98 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -87.17 36.37 0.73 Allowed 'General case' 0 C--O 1.272 2.243 0 CA-C-O 113.377 -3.202 . . . . 0.0 105.487 -179.871 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 55.66 173.3 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.929 0 O-C-N 125.83 1.956 . . . . 0.0 109.852 -179.639 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -72.45 149.4 44.25 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.825 -179.452 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.67 167.74 54.29 Favored Glycine 0 C--O 1.243 0.716 0 CA-C-N 114.646 -1.161 . . . . 0.0 115.124 -178.981 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.392 -2.338 . . . . 0.0 108.362 179.068 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.08 138.25 31.74 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.933 2.645 . . . . 0.0 108.914 178.347 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.08 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.396 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.24 49.44 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.457 4.848 . . . . 0.0 108.797 179.54 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.13 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.479 175.869 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.47 41.17 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.429 4.206 . . . . 0.0 108.107 -178.201 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.78 8.37 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.49 -6.92 49.51 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.012 0.82 . . . . 0.0 112.595 -177.939 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 15.01 30.18 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 115.811 -2.356 . . . . 0.0 112.021 179.952 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.38 Favored Glycine 0 C--N 1.298 -1.559 0 O-C-N 120.186 -1.571 . . . . 0.0 116.167 179.765 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.11 34.35 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.353 -2.091 . . . . 0.0 105.353 175.011 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.585 2.428 . . . . 0.0 106.053 176.127 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 127.629 3.081 . . . . 0.0 109.037 179.666 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.229 178.094 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.39 154.02 44.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 115.391 -2.242 . . . . 0.0 108.449 -179.189 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.24 44.5 Favored 'General case' 0 N--CA 1.499 2.016 1 O-C-N 129.142 4.026 . . . . 0.0 103.581 173.981 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.14 170.63 15.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 O-C-N 127.7 3.125 . . . . 0.0 111.218 -177.879 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.56 37.8 Favored Pre-proline 0 C--N 1.314 -0.972 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.348 174.675 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.49 39.75 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.52 2.146 . . . . 0.0 111.969 177.73 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -177.478 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.5 47.52 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.361 -1.736 . . . . 0.0 109.88 -179.043 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.77 160.44 21.23 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.72 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.3 -37.24 77.15 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.197 2.81 . . . . 0.0 110.374 175.754 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.4 79.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.407 -0.808 . . . . 0.0 110.747 176.963 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.46 86.95 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.298 1.039 . . . . 0.0 111.515 -179.609 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.35 -46.44 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 125.104 1.502 . . . . 0.0 109.337 178.495 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.99 83.75 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.03 87.18 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 118.012 0.369 . . . . 0.0 111.264 176.851 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.33 87.11 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.343 -1.473 . . . . 0.0 110.792 175.983 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.42 77.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.25 -48.58 79.32 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 125.512 2.577 . . . . 0.0 109.065 179.429 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.55 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 113.624 -1.625 . . . . 0.0 111.712 179.135 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.42 17.98 Favored 'General case' 0 C--O 1.28 2.673 0 N-CA-C 117.048 2.24 . . . . 0.0 117.048 -175.673 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.12 2.691 . . . . 0.0 113.929 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.17 5.38 90.13 Favored Glycine 0 CA--C 1.477 -2.289 0 N-CA-C 118.904 2.322 . . . . 0.0 118.904 176.513 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.88 83.31 Favored Pre-proline 0 C--O 1.243 0.745 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.055 179.648 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.91 79.44 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.174 2.583 . . . . 0.0 110.9 178.196 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.11 92.66 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 122.858 0.925 . . . . 0.0 113.405 -179.371 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.925 -1.734 . . . . 0.0 112.2 -177.461 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.54 28.76 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.515 -1.365 . . . . 0.0 112.011 178.689 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.75 34.77 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 124.292 1.996 . . . . 0.0 115.631 -177.661 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.95 23.95 Favored 'General case' 0 C--O 1.296 3.5 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 172.093 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.454 1.025 . . . . 0.0 110.006 -177.615 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.139 1.524 . . . . 0.0 111.925 -177.527 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.29 129.69 18.9 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.518 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.01 19.3 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.777 177.417 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 21.51 61.06 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 128.371 2.891 . . . . 0.0 117.532 -179.477 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.0 142.68 46.3 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.686 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.25 34.61 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 174.555 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.44 37.51 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 117.711 -1.138 . . . . 0.0 110.009 -175.859 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.082 1.489 . . . . 0.0 109.916 -177.714 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.38 Favored 'General case' 0 C--O 1.266 1.942 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.792 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.85 -8.96 85.15 Favored Glycine 0 CA--C 1.492 -1.348 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -177.312 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.53 17.1 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 120.051 -1.852 . . . . 0.0 108.021 176.49 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.48 164.58 11.65 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.071 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 177.187 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.277 -1.769 . . . . 0.0 112.131 -179.457 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.33 70.55 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 122.495 1.141 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.74 51.31 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.969 179.307 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.86 45.39 18.53 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.536 1.971 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.36 30.2 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.11 -2.376 . . . . 0.0 106.18 175.823 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 126.064 2.103 . . . . 0.0 109.53 -176.841 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 0.1 OUTLIER -54.71 143.05 26.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 123.137 1.446 . . . . 0.0 109.287 -176.908 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.396 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 179.499 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 174.791 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.22 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.968 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.6 19.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.658 -2.591 . . . . 0.0 105.751 175.008 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.76 46.38 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 127.426 2.954 . . . . 0.0 105.888 177.902 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.83 30.87 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.515 176.59 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.606 -2.739 . . . . 0.0 103.606 175.135 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 178.499 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.445 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' O ' ' H81' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 73' ' ' LEU . . . -96.06 139.07 32.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -54.84 -4.91 0.08 Allowed 'General case' 0 C--O 1.273 2.329 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.526 -179.685 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 81.64 75.43 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.764 1.915 . . . . 0.0 109.859 -179.756 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 44.02 -110.53 0.18 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.834 -1.53 . . . . 0.0 108.85 -179.451 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.16 -171.63 35.12 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 115.05 -179.492 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.498 0 CA-C-O 116.393 -2.337 . . . . 0.0 108.347 179.22 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 126.963 2.664 . . . . 0.0 108.952 178.326 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 162.99 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.386 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.2 49.47 Favored 'General case' 0 N--CA 1.511 2.618 1 O-C-N 130.451 4.844 . . . . 0.0 108.798 179.575 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.07 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.506 175.825 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.5 41.18 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.382 4.176 . . . . 0.0 108.057 -178.191 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.96 49.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 124.053 0.845 . . . . 0.0 112.606 -177.928 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.98 30.29 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 115.786 -2.366 . . . . 0.0 111.974 179.918 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.43 80.32 Favored Glycine 0 C--N 1.297 -1.601 0 O-C-N 120.136 -1.602 . . . . 0.0 116.143 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.24 138.01 34.47 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 174.972 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.77 55.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.595 2.435 . . . . 0.0 106.024 176.142 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 127.628 3.08 . . . . 0.0 109.076 179.656 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.44 139.81 36.6 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 117.232 -1.787 . . . . 0.0 108.226 178.153 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.45 154.05 44.22 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 115.365 -2.255 . . . . 0.0 108.475 -179.207 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.2 44.4 Favored 'General case' 0 N--CA 1.499 2.004 1 O-C-N 129.176 4.048 . . . . 0.0 103.59 174.0 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.65 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.193 0 O-C-N 127.67 3.106 . . . . 0.0 111.256 -177.911 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.06 144.51 37.82 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.309 174.701 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.9 -24.5 39.27 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.516 2.144 . . . . 0.0 111.944 177.712 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.901 -177.511 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.53 47.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.897 -179.038 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.46 21.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 175.681 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.27 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 O-C-N 127.186 2.804 . . . . 0.0 110.401 175.734 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.04 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.341 -0.85 . . . . 0.0 110.72 176.999 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.49 87.06 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.301 1.04 . . . . 0.0 111.494 -179.594 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.49 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 125.069 1.481 . . . . 0.0 109.297 178.511 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.92 83.61 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.783 -179.764 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.09 87.33 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-N 117.965 0.348 . . . . 0.0 111.177 176.884 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.18 -37.4 87.34 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.347 -1.471 . . . . 0.0 110.814 176.043 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.252 1.224 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.14 -48.58 79.49 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.515 2.579 . . . . 0.0 108.982 179.446 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.68 66.63 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.772 179.14 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.691 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 -175.677 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.07 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.149 2.704 . . . . 0.0 113.961 179.802 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.35 90.13 Favored Glycine 0 CA--C 1.478 -2.224 0 N-CA-C 118.845 2.298 . . . . 0.0 118.845 176.5 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.779 -1.169 . . . . 0.0 111.003 179.712 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.92 79.47 Favored 'Trans proline' 0 C--O 1.259 1.546 0 C-N-CA 123.164 2.576 . . . . 0.0 110.906 178.223 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.19 -32.14 92.61 Favored 'Trans proline' 0 C--O 1.262 1.696 0 C-N-CA 120.695 0.93 . . . . 0.0 113.417 -179.352 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.777 0 O-C-N 119.926 -1.734 . . . . 0.0 112.218 -177.44 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.46 28.99 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.494 -1.379 . . . . 0.0 112.01 178.778 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 124.342 2.02 . . . . 0.0 115.584 -177.596 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.91 23.91 Favored 'General case' 0 C--O 1.296 3.546 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 172.105 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.28 50.98 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.482 1.037 . . . . 0.0 110.016 -177.568 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.81 72.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 O-C-N 125.129 1.518 . . . . 0.0 111.935 -177.529 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.73 19.02 Favored 'General case' 0 C--N 1.36 1.022 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 177.522 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.11 19.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 112.227 -2.261 . . . . 0.0 110.745 177.359 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.62 60.86 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 128.387 2.898 . . . . 0.0 117.487 -179.515 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.66 46.35 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.664 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.72 130.24 34.61 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 174.54 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.49 138.36 37.52 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.028 -175.909 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.02 36.72 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.031 1.457 . . . . 0.0 109.931 -177.749 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.17 29.62 Favored 'General case' 0 C--O 1.266 1.934 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.866 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.9 85.22 Favored Glycine 0 CA--C 1.491 -1.438 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.07 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 119.976 -1.897 . . . . 0.0 108.005 176.527 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.55 11.67 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 177.127 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.27 79.47 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.151 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.81 -29.6 70.79 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.273 -1.771 . . . . 0.0 112.191 -179.534 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.31 70.6 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 122.528 1.156 . . . . 0.0 110.749 179.753 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.67 51.49 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.964 179.264 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.88 45.37 18.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.59 1.995 . . . . 0.0 111.19 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.43 30.31 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-O 115.083 -2.389 . . . . 0.0 106.212 175.77 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.44 169.5 8.5 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 126.107 2.13 . . . . 0.0 109.5 -176.831 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.77 143.06 26.61 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.163 1.458 . . . . 0.0 109.286 -176.881 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.24 10.67 Favored 'General case' 0 C--O 1.255 1.387 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 179.486 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.18 159.53 34.49 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.77 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.72 52.21 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.93 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.64 19.13 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.75 -2.548 . . . . 0.0 105.695 175.034 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.39 Favored 'General case' 0 C--N 1.286 -2.174 0 O-C-N 127.391 2.932 . . . . 0.0 105.877 177.929 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.08 115.79 30.8 Favored 'General case' 0 C--O 1.282 2.788 0 CA-C-O 117.579 -1.201 . . . . 0.0 111.537 176.596 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.88 28.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.149 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.161 0.505 . . . . 0.0 109.833 178.442 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.479 ' H81' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.457 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 137.0 35.77 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . -69.66 -17.63 63.51 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.501 179.436 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 60.12 142.59 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.913 0 O-C-N 125.805 1.94 . . . . 0.0 109.825 -179.694 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . 60.25 127.37 0.01 OUTLIER 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.803 -1.544 . . . . 0.0 108.86 -179.467 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.76 -169.68 46.13 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.646 -1.161 . . . . 0.0 115.071 -179.341 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.336 -2.369 . . . . 0.0 108.396 179.32 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 127.009 2.693 . . . . 0.0 108.912 178.283 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 173.389 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.18 49.5 Favored 'General case' 0 N--CA 1.512 2.627 1 O-C-N 130.484 4.865 . . . . 0.0 108.78 179.57 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.23 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.542 175.796 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.2 127.51 41.31 Favored 'General case' 0 N--CA 1.505 2.284 1 O-C-N 129.389 4.181 . . . . 0.0 108.038 -178.156 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.75 8.37 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.801 -1.095 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.44 -6.95 49.58 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.092 0.87 . . . . 0.0 112.597 -177.979 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.32 14.95 30.37 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 115.818 -2.353 . . . . 0.0 112.006 179.955 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.42 80.36 Favored Glycine 0 C--N 1.297 -1.594 0 O-C-N 120.129 -1.607 . . . . 0.0 116.169 179.777 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.06 34.42 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 174.994 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 126.648 2.467 . . . . 0.0 105.964 176.167 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.0 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 127.569 3.043 . . . . 0.0 109.066 179.595 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.65 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 117.269 -1.772 . . . . 0.0 108.24 178.096 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.03 44.27 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 115.332 -2.27 . . . . 0.0 108.394 -179.137 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.4 Favored 'General case' 0 N--CA 1.499 1.987 1 O-C-N 129.259 4.1 . . . . 0.0 103.53 174.031 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.08 170.68 15.75 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.657 3.098 . . . . 0.0 111.21 -177.912 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.03 144.54 37.84 Favored Pre-proline 0 C--N 1.314 -0.971 0 CA-C-N 112.151 -2.295 . . . . 0.0 106.334 174.665 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 122.56 2.173 . . . . 0.0 111.981 177.689 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.89 -8.17 59.16 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.86 -177.494 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.45 47.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 117.336 -1.746 . . . . 0.0 109.839 -179.021 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.72 160.4 21.3 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.668 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.29 77.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 O-C-N 127.167 2.792 . . . . 0.0 110.398 175.797 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.56 -40.46 78.99 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.383 -0.823 . . . . 0.0 110.746 176.969 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.47 87.13 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.299 1.04 . . . . 0.0 111.512 -179.641 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.48 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.085 1.491 . . . . 0.0 109.339 178.5 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.76 -38.02 83.81 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.746 -179.748 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.02 87.21 Favored 'General case' 0 C--O 1.278 2.591 0 CA-C-N 118.013 0.369 . . . . 0.0 111.268 176.869 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.32 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 120.424 -1.423 . . . . 0.0 110.819 176.01 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.94 -39.46 77.55 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 179.93 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.24 -48.55 79.48 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 125.572 2.606 . . . . 0.0 109.048 179.485 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.52 -41.74 66.67 Favored 'General case' 0 C--O 1.254 1.314 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.761 179.122 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.37 17.96 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -175.64 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.36 8.09 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 123.097 2.68 . . . . 0.0 113.99 179.814 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.279 0 N-CA-C 118.918 2.327 . . . . 0.0 118.918 176.553 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.86 83.35 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.779 -1.168 . . . . 0.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.97 79.89 Favored 'Trans proline' 0 C--O 1.259 1.559 0 C-N-CA 123.133 2.556 . . . . 0.0 110.901 178.204 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.18 92.86 Favored 'Trans proline' 0 C--O 1.263 1.725 0 O-C-N 122.891 0.943 . . . . 0.0 113.411 -179.397 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.895 -1.753 . . . . 0.0 112.197 -177.412 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.82 -10.46 28.92 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.516 -1.365 . . . . 0.0 112.048 178.735 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.84 129.73 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.334 2.016 . . . . 0.0 115.608 -177.674 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.26 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.541 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 172.11 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.64 130.32 51.08 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.511 1.05 . . . . 0.0 110.003 -177.577 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.82 72.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.249 1.593 . . . . 0.0 111.895 -177.482 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.65 18.88 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.385 -2.079 . . . . 0.0 105.385 177.502 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 45.99 19.48 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.243 -2.253 . . . . 0.0 110.782 177.37 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.96 Favored Glycine 0 N--CA 1.433 -1.526 0 C-N-CA 128.342 2.877 . . . . 0.0 117.488 -179.522 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.01 142.64 46.36 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.67 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.27 34.6 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 174.52 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.53 138.34 37.48 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.051 -175.894 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.0 36.71 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 125.026 1.454 . . . . 0.0 109.956 -177.731 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.8 Favored 'General case' 0 C--O 1.266 1.945 0 N-CA-C 120.712 3.597 . . . . 0.0 120.712 -175.794 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.87 85.27 Favored Glycine 0 CA--C 1.492 -1.375 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.334 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.54 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.99 -1.888 . . . . 0.0 108.034 176.506 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.56 11.66 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.165 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.14 79.1 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.175 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.94 -29.61 70.77 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 117.282 -1.767 . . . . 0.0 112.18 -179.473 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.61 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 122.474 1.13 . . . . 0.0 110.718 179.75 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.96 4.56 51.69 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.978 179.288 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.93 45.36 18.34 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 121.581 1.991 . . . . 0.0 111.2 179.895 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.42 30.3 Favored 'Isoleucine or valine' 0 C--O 1.268 2.027 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.157 175.824 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.145 2.153 . . . . 0.0 109.502 -176.833 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 24.9 ttpp -54.81 143.07 26.79 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 123.253 1.502 . . . . 0.0 109.283 -176.948 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.15 10.62 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 179.514 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.5 34.58 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.796 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.74 52.29 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.964 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.705 -2.569 . . . . 0.0 105.757 174.951 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.77 46.41 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 127.397 2.936 . . . . 0.0 105.941 177.932 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.07 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.803 0 CA-C-O 117.645 -1.169 . . . . 0.0 111.477 176.648 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.11 139.91 28.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 175.11 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.169 0.509 . . . . 0.0 109.829 178.468 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.457 ' S1 ' ' N ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.591 ' O ' ' H62' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.2 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 133.7 39.99 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 159.76 -163.3 0.0 OUTLIER 'General case' 0 C--O 1.273 2.299 0 CA-C-O 113.379 -3.2 . . . . 0.0 105.524 174.365 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . 76.6 40.14 0.23 Allowed 'General case' 0 C--N 1.292 -1.91 0 O-C-N 125.825 1.953 . . . . 0.0 109.849 -178.997 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -132.43 128.01 36.58 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 113.761 -1.563 . . . . 0.0 108.841 -179.232 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . -162.13 175.94 38.57 Favored Glycine 0 C--O 1.243 0.683 0 CA-C-N 114.64 -1.163 . . . . 0.0 115.07 -179.646 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.46 0 CA-C-O 116.326 -2.375 . . . . 0.0 108.407 179.043 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.09 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 126.987 2.679 . . . . 0.0 108.906 178.333 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.16 163.06 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 173.34 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.91 140.22 49.46 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.425 4.828 . . . . 0.0 108.78 179.574 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.456 175.849 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.15 127.54 41.29 Favored 'General case' 0 N--CA 1.504 2.253 1 O-C-N 129.379 4.174 . . . . 0.0 108.082 -178.201 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.71 8.41 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.809 -1.091 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.99 49.79 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.069 0.856 . . . . 0.0 112.596 -177.95 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 14.98 30.28 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.991 179.927 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.46 80.32 Favored Glycine 0 C--N 1.298 -1.581 0 O-C-N 120.118 -1.613 . . . . 0.0 116.169 179.786 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.07 34.44 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 174.977 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.74 55.33 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 126.677 2.486 . . . . 0.0 106.018 176.135 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 142.03 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 127.608 3.068 . . . . 0.0 109.017 179.699 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.49 139.8 36.66 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 117.266 -1.774 . . . . 0.0 108.261 178.085 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.01 44.24 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.398 -2.239 . . . . 0.0 108.418 -179.189 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.23 44.47 Favored 'General case' 0 N--CA 1.498 1.965 1 O-C-N 129.175 4.047 . . . . 0.0 103.578 174.014 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.12 170.61 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.748 3.155 . . . . 0.0 111.206 -177.886 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.162 -2.29 . . . . 0.0 106.374 174.629 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.35 Favored 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 122.537 2.158 . . . . 0.0 111.96 177.747 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.91 -8.13 59.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.951 -177.559 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.46 47.56 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 117.34 -1.744 . . . . 0.0 109.854 -179.045 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.76 160.42 21.25 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.702 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.22 -37.27 77.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 O-C-N 127.184 2.803 . . . . 0.0 110.368 175.829 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.47 79.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.385 -0.822 . . . . 0.0 110.744 176.995 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.48 -44.5 86.94 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 124.329 1.052 . . . . 0.0 111.513 -179.65 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.3 -46.47 88.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 125.108 1.505 . . . . 0.0 109.292 178.539 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.77 -37.98 83.69 Favored 'General case' 0 C--O 1.256 1.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 -179.741 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.99 87.03 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 118.001 0.364 . . . . 0.0 111.209 176.891 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.29 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 120.355 -1.466 . . . . 0.0 110.803 176.025 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.49 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.61 79.26 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 125.475 2.559 . . . . 0.0 109.019 179.476 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.69 66.43 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.745 179.161 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.39 17.93 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -175.686 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.39 8.08 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.086 2.676 . . . . 0.0 113.972 179.838 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.28 5.29 90.14 Favored Glycine 0 CA--C 1.478 -2.278 0 N-CA-C 118.858 2.303 . . . . 0.0 118.858 176.55 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.89 83.29 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.791 -1.163 . . . . 0.0 111.048 179.662 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.96 136.89 79.33 Favored 'Trans proline' 0 C--O 1.259 1.545 0 C-N-CA 123.097 2.531 . . . . 0.0 110.928 178.228 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.21 -32.16 92.73 Favored 'Trans proline' 0 C--O 1.262 1.699 0 O-C-N 122.84 0.916 . . . . 0.0 113.431 -179.323 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.59 63.65 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.96 -1.712 . . . . 0.0 112.225 -177.444 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.48 28.92 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 120.472 -1.392 . . . . 0.0 112.03 178.719 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.78 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.295 1.998 . . . . 0.0 115.669 -177.726 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.95 23.98 Favored 'General case' 0 C--O 1.296 3.504 0 N-CA-C 104.9 -2.259 . . . . 0.0 104.9 172.094 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.25 51.0 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.435 1.016 . . . . 0.0 110.032 -177.573 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.8 72.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.719 0 O-C-N 125.117 1.511 . . . . 0.0 111.932 -177.503 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.529 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.09 46.0 19.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 112.242 -2.254 . . . . 0.0 110.734 177.364 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.63 60.97 Favored Glycine 0 N--CA 1.432 -1.588 0 C-N-CA 128.375 2.893 . . . . 0.0 117.536 -179.5 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.684 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.31 34.59 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 103.806 -2.664 . . . . 0.0 103.806 174.565 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.41 37.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.046 -175.884 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 139.96 36.8 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 125.054 1.471 . . . . 0.0 109.987 -177.759 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.16 -42.29 29.16 Favored 'General case' 0 C--O 1.266 1.93 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.838 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 -8.9 85.26 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 -177.287 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.48 165.6 17.02 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.993 -1.886 . . . . 0.0 107.978 176.506 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.137 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.22 79.38 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.21 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.89 -29.61 70.78 Favored 'General case' 0 C--O 1.267 2.022 0 C-N-CA 117.309 -1.756 . . . . 0.0 112.18 -179.477 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.57 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.486 1.136 . . . . 0.0 110.701 179.809 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.68 51.39 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.967 179.294 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.84 45.37 18.62 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.563 1.983 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.64 116.4 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.066 0 CA-C-O 115.117 -2.373 . . . . 0.0 106.163 175.801 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 126.077 2.11 . . . . 0.0 109.534 -176.868 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 27.3 ttpp -54.77 143.06 26.65 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.197 1.475 . . . . 0.0 109.221 -176.894 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.508 ' N ' ' HG2' ' B' ' 63' ' ' LYS . . . 66.95 19.18 10.63 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 179.443 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.802 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.17 126.66 52.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.948 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.64 19.1 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.71 175.001 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.65 135.73 46.54 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 127.413 2.946 . . . . 0.0 105.88 177.951 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.03 115.8 30.81 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.581 -1.199 . . . . 0.0 111.545 176.529 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.14 139.96 28.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.154 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.215 0.531 . . . . 0.0 109.817 178.457 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.591 ' H62' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . -96.06 134.17 39.42 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' LEU . . . 161.06 -164.78 0.0 OUTLIER 'General case' 0 C--O 1.272 2.288 0 CA-C-O 113.378 -3.201 . . . . 0.0 105.535 179.907 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' H ' ' H ' ' A' ' 74' ' ' ARG . . . 72.61 13.97 5.21 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 125.776 1.923 . . . . 0.0 109.802 -179.673 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' H ' ' H ' ' A' ' 73' ' ' LEU . . . -75.97 155.86 34.66 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 113.737 -1.574 . . . . 0.0 108.827 -179.445 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.12 172.45 54.72 Favored Glycine 0 C--O 1.243 0.69 0 CA-C-N 114.633 -1.167 . . . . 0.0 115.068 -179.434 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 CA-C-O 116.437 -2.313 . . . . 0.0 108.315 179.241 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.24 31.75 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 126.924 2.64 . . . . 0.0 108.901 178.294 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.13 163.0 38.21 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 173.366 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.9 140.17 49.51 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.463 4.852 . . . . 0.0 108.816 179.559 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.534 175.848 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.07 127.45 41.14 Favored 'General case' 0 N--CA 1.504 2.249 1 O-C-N 129.398 4.186 . . . . 0.0 108.081 -178.176 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.5 170.79 8.36 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.9 49.39 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.042 0.839 . . . . 0.0 112.573 -177.957 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.96 30.35 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.828 -2.349 . . . . 0.0 111.98 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.48 80.33 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.125 -1.61 . . . . 0.0 116.13 179.752 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.989 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.77 55.33 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.621 2.451 . . . . 0.0 106.003 176.155 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 142.0 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 127.554 3.034 . . . . 0.0 109.002 179.648 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.76 36.66 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 117.225 -1.79 . . . . 0.0 108.258 178.072 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 115.372 -2.252 . . . . 0.0 108.405 -179.151 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.18 44.34 Favored 'General case' 0 N--CA 1.498 1.972 1 O-C-N 129.169 4.043 . . . . 0.0 103.579 173.976 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.03 170.59 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 127.747 3.154 . . . . 0.0 111.215 -177.928 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.47 37.55 Favored Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 112.113 -2.312 . . . . 0.0 106.333 174.682 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.43 39.14 Favored 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 122.52 2.147 . . . . 0.0 111.968 177.725 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.14 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.05 148.53 47.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.873 -179.037 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.44 21.2 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.706 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.3 77.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 O-C-N 127.179 2.799 . . . . 0.0 110.347 175.753 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.54 -40.48 78.94 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.685 177.04 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.16 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.301 1.041 . . . . 0.0 111.542 -179.616 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.45 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 125.042 1.464 . . . . 0.0 109.325 178.472 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.83 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.788 -179.78 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.06 87.24 Favored 'General case' 0 C--O 1.279 2.634 0 CA-C-N 118.003 0.365 . . . . 0.0 111.205 176.863 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.29 86.96 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 120.449 -1.407 . . . . 0.0 110.802 176.034 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.04 -39.4 77.23 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.64 79.12 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 125.51 2.576 . . . . 0.0 108.978 179.501 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.74 66.42 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.763 179.134 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.39 17.95 Favored 'General case' 0 C--O 1.28 2.67 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.673 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.38 8.1 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.185 2.72 . . . . 0.0 113.957 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.34 90.15 Favored Glycine 0 CA--C 1.478 -2.275 0 N-CA-C 118.859 2.304 . . . . 0.0 118.859 176.501 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.88 83.36 Favored Pre-proline 0 C--O 1.243 0.736 0 C-N-CA 118.821 -1.152 . . . . 0.0 110.986 179.706 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.97 79.85 Favored 'Trans proline' 0 C--O 1.26 1.581 0 C-N-CA 123.193 2.596 . . . . 0.0 110.878 178.18 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.31 -32.1 92.81 Favored 'Trans proline' 0 C--O 1.262 1.682 0 C-N-CA 120.67 0.914 . . . . 0.0 113.428 -179.356 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.952 -1.718 . . . . 0.0 112.18 -177.447 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.48 28.9 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.493 -1.38 . . . . 0.0 112.069 178.684 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.67 34.78 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 124.312 2.006 . . . . 0.0 115.652 -177.659 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.98 24.03 Favored 'General case' 0 C--O 1.295 3.497 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 172.095 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.24 50.99 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.441 1.019 . . . . 0.0 109.961 -177.533 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.87 72.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.168 1.542 . . . . 0.0 111.951 -177.537 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.27 129.7 18.93 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 177.53 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.07 45.96 19.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.219 -2.264 . . . . 0.0 110.785 177.374 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.86 21.55 61.18 Favored Glycine 0 N--CA 1.432 -1.574 0 C-N-CA 128.399 2.904 . . . . 0.0 117.453 -179.512 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.63 46.39 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.706 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.57 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.37 37.52 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.702 -1.142 . . . . 0.0 110.053 -175.907 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 125.094 1.496 . . . . 0.0 110.006 -177.726 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.28 29.35 Favored 'General case' 0 C--O 1.266 1.921 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.801 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 -8.82 85.3 Favored Glycine 0 CA--C 1.492 -1.398 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.295 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.49 165.52 17.07 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.965 -1.903 . . . . 0.0 107.974 176.525 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.104 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.17 -36.26 79.35 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 177.184 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.82 -29.7 70.87 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 117.341 -1.744 . . . . 0.0 112.151 -179.5 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.53 -39.36 70.46 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.422 1.106 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.99 4.66 51.46 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 117.726 -1.13 . . . . 0.0 113.021 179.272 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.34 18.5 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 121.531 1.969 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.139 -2.362 . . . . 0.0 106.146 175.863 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.51 8.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.086 2.116 . . . . 0.0 109.551 -176.873 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -54.73 143.0 26.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.231 1.491 . . . . 0.0 109.269 -176.933 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.18 10.62 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.489 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.49 34.58 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.829 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.24 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.987 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.65 19.09 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 114.684 -2.579 . . . . 0.0 105.757 174.981 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.43 Favored 'General case' 0 C--N 1.285 -2.2 0 O-C-N 127.419 2.949 . . . . 0.0 105.892 177.917 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.81 30.84 Favored 'General case' 0 C--O 1.282 2.787 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.498 176.593 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.22 139.93 28.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.112 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.181 0.515 . . . . 0.0 109.823 178.472 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.46 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.504 ' O ' ' S1 ' ' A' ' 101' ' ' MTN . 0.0 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.3 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 135.54 37.7 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -96.28 132.24 41.96 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 113.383 -3.199 . . . . 0.0 105.492 -178.024 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -71.38 137.75 48.63 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 125.847 1.967 . . . . 0.0 109.831 179.811 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -58.97 134.5 57.02 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.811 -1.541 . . . . 0.0 108.846 -179.509 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.41 173.72 43.15 Favored Glycine 0 C--O 1.243 0.661 0 CA-C-N 114.66 -1.155 . . . . 0.0 115.087 -179.359 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.447 0 CA-C-O 116.408 -2.329 . . . . 0.0 108.434 179.431 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.02 138.21 31.78 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 127.027 2.705 . . . . 0.0 108.942 178.309 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 173.438 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.86 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.65 1 O-C-N 130.454 4.846 . . . . 0.0 108.787 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.2 44.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.533 175.818 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.1 127.5 41.2 Favored 'General case' 0 N--CA 1.504 2.23 1 O-C-N 129.387 4.179 . . . . 0.0 108.045 -178.135 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.54 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.45 -6.93 49.49 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.027 0.83 . . . . 0.0 112.561 -177.917 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.98 30.3 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 115.803 -2.359 . . . . 0.0 111.994 179.971 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.52 80.3 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.196 -1.565 . . . . 0.0 116.141 179.803 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 174.96 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.599 2.437 . . . . 0.0 105.999 176.185 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.48 141.95 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 127.586 3.054 . . . . 0.0 109.041 179.67 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.63 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 117.205 -1.798 . . . . 0.0 108.172 178.17 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.07 44.11 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 115.382 -2.247 . . . . 0.0 108.425 -179.217 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.9 121.22 44.43 Favored 'General case' 0 N--CA 1.499 1.98 1 O-C-N 129.207 4.067 . . . . 0.0 103.561 174.032 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.05 170.66 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 O-C-N 127.669 3.105 . . . . 0.0 111.211 -177.889 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.02 144.55 37.85 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 112.157 -2.292 . . . . 0.0 106.338 174.697 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.99 -24.43 39.64 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 122.584 2.189 . . . . 0.0 111.984 177.699 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.87 -8.16 59.13 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.909 -177.524 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.49 47.46 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 117.386 -1.726 . . . . 0.0 109.879 -179.024 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.38 21.29 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 175.753 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.21 -37.26 77.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 O-C-N 127.217 2.823 . . . . 0.0 110.362 175.81 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.61 -40.45 79.14 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.342 -0.849 . . . . 0.0 110.75 176.941 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 124.354 1.062 . . . . 0.0 111.518 -179.655 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.39 89.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 125.123 1.514 . . . . 0.0 109.291 178.543 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.88 -37.9 83.76 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.775 -179.797 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.02 87.03 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 118.02 0.373 . . . . 0.0 111.217 176.894 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.23 -37.39 87.29 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 120.446 -1.409 . . . . 0.0 110.802 176.025 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.51 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.233 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.12 -48.59 79.45 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.464 2.554 . . . . 0.0 109.006 179.494 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.71 66.68 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.701 179.148 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.53 -24.48 17.96 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.662 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.59 -6.29 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.149 2.704 . . . . 0.0 113.969 179.779 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.31 90.17 Favored Glycine 0 CA--C 1.477 -2.282 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.508 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.01 179.706 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.94 136.94 79.6 Favored 'Trans proline' 0 C--O 1.26 1.585 0 C-N-CA 123.187 2.591 . . . . 0.0 110.953 178.206 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.16 92.79 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.909 0.952 . . . . 0.0 113.409 -179.354 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.28 -15.5 63.59 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 120.02 -1.675 . . . . 0.0 112.183 -177.415 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.81 -10.52 28.78 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.567 -1.333 . . . . 0.0 112.011 178.715 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 124.301 2.0 . . . . 0.0 115.595 -177.635 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.97 24.03 Favored 'General case' 0 C--O 1.296 3.507 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.119 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.04 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 119.443 1.019 . . . . 0.0 109.983 -177.563 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 125.139 1.524 . . . . 0.0 111.927 -177.542 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.64 18.93 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 177.518 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.0 19.54 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.229 -2.259 . . . . 0.0 110.788 177.369 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.84 21.48 61.03 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.352 2.882 . . . . 0.0 117.536 -179.464 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.717 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.81 130.25 34.61 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.54 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.37 37.54 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.017 -175.875 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.01 36.73 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 125.076 1.485 . . . . 0.0 109.958 -177.725 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.36 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 120.705 3.594 . . . . 0.0 120.705 -175.856 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.92 -8.88 85.2 Favored Glycine 0 CA--C 1.491 -1.411 0 N-CA-C 116.097 1.199 . . . . 0.0 116.097 -177.335 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.55 17.07 Favored 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.05 -1.853 . . . . 0.0 107.997 176.533 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.16 79.2 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.15 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.62 70.78 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 117.266 -1.773 . . . . 0.0 112.2 -179.501 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.58 -39.38 70.63 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.443 1.116 . . . . 0.0 110.685 179.793 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.98 4.71 51.32 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 117.711 -1.138 . . . . 0.0 112.971 179.311 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.92 45.28 18.5 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 121.578 1.99 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.62 116.38 30.22 Favored 'Isoleucine or valine' 0 C--O 1.268 2.063 0 CA-C-O 115.139 -2.363 . . . . 0.0 106.174 175.828 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 126.07 2.106 . . . . 0.0 109.57 -176.879 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 63' ' ' LYS . 15.1 ptpt -54.67 143.01 26.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 123.168 1.461 . . . . 0.0 109.275 -176.949 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.87 19.23 10.67 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 179.441 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.15 159.51 34.55 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 174.771 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.19 126.72 52.23 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.952 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.24 154.65 19.12 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.745 174.999 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.196 0 O-C-N 127.394 2.934 . . . . 0.0 105.876 177.969 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.01 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.798 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.492 176.611 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.95 28.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.133 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.497 . . . . 0.0 109.859 178.434 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . 0.579 ' S1 ' ' H71' ' A' ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.451 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' C ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.73 38.75 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 129.91 161.44 0.0 OUTLIER 'General case' 0 C--O 1.273 2.303 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.498 -179.032 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' ASP . . . -162.95 -40.78 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 125.795 1.935 . . . . 0.0 109.838 -179.873 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -157.78 152.33 24.95 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.847 -179.236 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.68 -167.03 37.78 Favored Glycine 0 C--O 1.243 0.686 0 CA-C-N 114.626 -1.17 . . . . 0.0 115.066 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 CA-C-O 116.411 -2.327 . . . . 0.0 108.341 179.127 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.11 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.977 2.673 . . . . 0.0 108.9 178.323 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.11 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 173.393 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.98 140.18 49.51 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.419 4.824 . . . . 0.0 108.805 179.563 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 113.41 -3.186 . . . . 0.0 105.513 175.826 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.51 41.21 Favored 'General case' 0 N--CA 1.504 2.237 1 O-C-N 129.372 4.17 . . . . 0.0 108.081 -178.159 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.46 -6.92 49.41 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.002 0.814 . . . . 0.0 112.572 -177.921 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.37 15.03 30.14 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 115.837 -2.345 . . . . 0.0 112.026 179.911 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.53 80.37 Favored Glycine 0 C--N 1.297 -1.584 0 O-C-N 120.156 -1.59 . . . . 0.0 116.158 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.29 138.05 34.47 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.952 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.86 131.76 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.575 2.422 . . . . 0.0 105.993 176.165 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.93 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 127.599 3.062 . . . . 0.0 109.027 179.654 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.41 139.8 36.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 117.283 -1.767 . . . . 0.0 108.22 178.106 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 154.02 44.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 115.337 -2.268 . . . . 0.0 108.442 -179.167 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.21 44.43 Favored 'General case' 0 N--CA 1.498 1.964 1 O-C-N 129.193 4.058 . . . . 0.0 103.557 173.995 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.203 0 O-C-N 127.742 3.151 . . . . 0.0 111.255 -177.904 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.0 144.51 37.71 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 112.185 -2.28 . . . . 0.0 106.286 174.705 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.46 39.45 Favored 'Trans proline' 0 C--N 1.32 -0.963 0 C-N-CA 122.514 2.143 . . . . 0.0 111.933 177.719 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.93 -8.07 59.12 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.873 -177.478 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.52 47.52 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.844 -179.016 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.78 160.44 21.23 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.706 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 O-C-N 127.166 2.791 . . . . 0.0 110.387 175.772 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.39 79.04 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.337 -0.852 . . . . 0.0 110.747 176.938 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.44 86.98 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.281 1.033 . . . . 0.0 111.544 -179.633 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.29 -46.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 125.016 1.448 . . . . 0.0 109.285 178.492 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.95 83.84 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.07 87.41 Favored 'General case' 0 C--O 1.278 2.578 0 CA-C-N 118.002 0.364 . . . . 0.0 111.196 176.889 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.21 -37.35 87.16 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 120.424 -1.422 . . . . 0.0 110.814 175.996 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -70.0 -39.43 77.39 Favored 'Isoleucine or valine' 0 C--O 1.252 1.231 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.59 79.32 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.517 2.579 . . . . 0.0 109.007 179.488 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.76 66.56 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.728 179.142 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.38 17.95 Favored 'General case' 0 C--O 1.279 2.605 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -175.66 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.37 8.13 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 123.083 2.674 . . . . 0.0 113.926 179.82 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.37 90.13 Favored Glycine 0 CA--C 1.478 -2.248 0 N-CA-C 118.872 2.309 . . . . 0.0 118.872 176.535 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.8 83.34 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.021 179.686 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.92 79.49 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.169 2.579 . . . . 0.0 110.929 178.164 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.22 -32.11 92.6 Favored 'Trans proline' 0 C--O 1.262 1.678 0 O-C-N 122.853 0.923 . . . . 0.0 113.434 -179.35 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.815 0 O-C-N 119.993 -1.692 . . . . 0.0 112.205 -177.453 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.87 -10.46 28.81 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.526 -1.359 . . . . 0.0 112.047 178.671 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.74 34.77 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 124.328 2.014 . . . . 0.0 115.64 -177.633 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.88 23.85 Favored 'General case' 0 C--O 1.295 3.49 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 172.107 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.29 50.96 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.436 1.016 . . . . 0.0 109.945 -177.502 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.11 131.85 72.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.145 1.528 . . . . 0.0 111.911 -177.51 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.66 18.92 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.478 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.99 19.45 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.282 -2.235 . . . . 0.0 110.764 177.406 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.79 21.58 61.05 Favored Glycine 0 N--CA 1.432 -1.579 0 C-N-CA 128.34 2.876 . . . . 0.0 117.481 -179.534 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.11 142.68 46.32 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 177.711 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.73 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 174.534 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.47 138.39 37.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.772 -1.108 . . . . 0.0 110.011 -175.909 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.9 139.99 36.79 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 125.052 1.47 . . . . 0.0 109.935 -177.728 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.23 -42.19 29.54 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.681 3.585 . . . . 0.0 120.681 -175.835 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -8.86 85.23 Favored Glycine 0 CA--C 1.492 -1.403 0 N-CA-C 116.128 1.211 . . . . 0.0 116.128 -177.349 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.57 17.05 Favored 'General case' 0 C--O 1.25 1.091 0 O-C-N 119.996 -1.885 . . . . 0.0 107.987 176.488 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.55 164.62 11.62 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.145 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.29 -36.21 79.44 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.16 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.9 -29.59 70.75 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.16 -179.466 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.32 70.55 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.487 1.137 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.06 4.7 51.44 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 117.716 -1.135 . . . . 0.0 112.994 179.3 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.97 45.29 18.34 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 121.556 1.98 . . . . 0.0 111.169 179.822 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.61 116.39 30.23 Favored 'Isoleucine or valine' 0 C--O 1.268 2.062 0 CA-C-O 115.13 -2.367 . . . . 0.0 106.181 175.838 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.36 169.52 8.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 126.059 2.1 . . . . 0.0 109.485 -176.816 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 15.9 ptmt -54.71 143.03 26.45 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.183 1.468 . . . . 0.0 109.239 -176.93 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.96 19.1 10.63 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 179.453 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 174.829 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.71 52.19 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.998 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.62 19.13 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 114.721 -2.562 . . . . 0.0 105.714 175.005 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.74 46.46 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 127.413 2.946 . . . . 0.0 105.921 177.913 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.0 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.839 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.493 176.644 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.18 139.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 103.61 -2.737 . . . . 0.0 103.61 175.107 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.136 0.493 . . . . 0.0 109.856 178.464 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.449 ' S1 ' ' C ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.06 37.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -135.45 107.38 7.09 Favored 'General case' 0 C--O 1.272 2.274 0 CA-C-O 113.438 -3.173 . . . . 0.0 105.487 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -75.75 124.75 27.79 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 125.768 1.917 . . . . 0.0 109.852 -179.922 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -62.36 -44.61 96.07 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 113.755 -1.566 . . . . 0.0 108.814 -179.151 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.0 -149.69 51.45 Favored Glycine 0 C--O 1.243 0.687 0 CA-C-N 114.684 -1.144 . . . . 0.0 115.077 -179.374 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.408 0 CA-C-O 116.371 -2.349 . . . . 0.0 108.386 179.113 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.05 138.24 31.75 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 127.011 2.694 . . . . 0.0 108.914 178.336 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.01 38.19 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 173.396 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.23 49.44 Favored 'General case' 0 N--CA 1.512 2.664 1 O-C-N 130.45 4.843 . . . . 0.0 108.755 179.591 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.22 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.525 175.784 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.49 41.2 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.381 4.176 . . . . 0.0 108.058 -178.161 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.47 -6.92 49.46 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.055 0.847 . . . . 0.0 112.59 -177.939 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.99 30.26 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 115.805 -2.358 . . . . 0.0 111.956 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.51 80.33 Favored Glycine 0 C--N 1.297 -1.608 0 O-C-N 120.183 -1.573 . . . . 0.0 116.149 179.771 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.04 34.49 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 175.021 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.74 55.34 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 126.595 2.434 . . . . 0.0 106.034 176.117 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.42 141.98 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 127.611 3.069 . . . . 0.0 109.058 179.682 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.207 -1.797 . . . . 0.0 108.239 178.123 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.02 44.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.419 -179.184 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.89 121.24 44.5 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.172 4.045 . . . . 0.0 103.549 174.015 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.145 0 O-C-N 127.712 3.132 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.99 144.51 37.7 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.146 -2.297 . . . . 0.0 106.335 174.709 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.42 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.552 2.168 . . . . 0.0 111.961 177.725 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.12 59.13 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.903 -177.524 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 117.347 -1.741 . . . . 0.0 109.814 -179.032 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.41 21.21 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.708 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.2 -37.33 77.27 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 O-C-N 127.198 2.811 . . . . 0.0 110.385 175.738 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.46 79.0 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.367 -0.833 . . . . 0.0 110.727 177.012 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.51 -44.43 87.01 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.303 1.041 . . . . 0.0 111.564 -179.671 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 125.094 1.496 . . . . 0.0 109.34 178.493 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.99 83.9 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.766 -179.8 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.01 87.16 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-N 117.989 0.359 . . . . 0.0 111.231 176.883 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.32 87.07 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 120.362 -1.461 . . . . 0.0 110.801 176.017 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.52 77.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.215 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.57 79.47 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.522 2.582 . . . . 0.0 109.022 179.439 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.53 -41.69 66.64 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.748 179.163 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.62 -24.43 17.91 Favored 'General case' 0 C--O 1.28 2.677 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -175.667 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.51 -6.4 8.13 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 123.147 2.703 . . . . 0.0 113.936 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 5.39 90.11 Favored Glycine 0 CA--C 1.477 -2.326 0 N-CA-C 118.899 2.319 . . . . 0.0 118.899 176.554 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.88 83.25 Favored Pre-proline 0 C--O 1.242 0.704 0 C-N-CA 118.83 -1.148 . . . . 0.0 111.013 179.693 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.92 79.6 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.128 2.552 . . . . 0.0 110.952 178.153 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.08 92.57 Favored 'Trans proline' 0 C--O 1.261 1.67 0 C-N-CA 120.707 0.938 . . . . 0.0 113.392 -179.349 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.21 -15.61 63.65 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 120.002 -1.686 . . . . 0.0 112.179 -177.387 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.54 28.78 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.463 -1.398 . . . . 0.0 112.058 178.669 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.78 34.77 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 124.323 2.011 . . . . 0.0 115.625 -177.651 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.29 115.92 23.88 Favored 'General case' 0 C--O 1.296 3.523 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 172.103 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.29 51.03 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.479 1.036 . . . . 0.0 110.016 -177.566 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.79 72.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 O-C-N 125.159 1.537 . . . . 0.0 111.927 -177.503 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.69 18.99 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.504 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 45.94 19.45 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.757 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 21.6 61.08 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 128.43 2.919 . . . . 0.0 117.459 -179.506 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.61 46.41 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 177.673 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.7 130.24 34.62 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 174.576 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.003 -175.898 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.86 139.94 36.81 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 125.077 1.486 . . . . 0.0 109.952 -177.739 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.22 29.61 Favored 'General case' 0 C--O 1.265 1.904 0 N-CA-C 120.687 3.588 . . . . 0.0 120.687 -175.833 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.83 85.31 Favored Glycine 0 CA--C 1.491 -1.434 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 -177.357 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.46 165.56 17.06 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.987 -1.89 . . . . 0.0 107.979 176.516 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.62 11.62 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.145 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.21 -36.26 79.43 Favored 'General case' 0 C--O 1.202 -1.443 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.175 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.86 -29.6 70.78 Favored 'General case' 0 C--O 1.268 2.073 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.182 -179.484 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.32 70.63 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.489 1.138 . . . . 0.0 110.736 179.729 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.69 51.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 117.65 -1.167 . . . . 0.0 112.953 179.325 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.42 18.51 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 121.555 1.979 . . . . 0.0 111.191 179.838 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.7 116.43 30.36 Favored 'Isoleucine or valine' 0 C--O 1.268 2.037 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.173 175.819 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.58 8.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.103 2.127 . . . . 0.0 109.521 -176.859 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.469 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -54.78 143.05 26.69 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 123.199 1.476 . . . . 0.0 109.301 -176.946 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.91 19.16 10.65 Favored 'General case' 0 C--O 1.255 1.392 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 179.483 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.07 159.51 34.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 174.832 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.21 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.983 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.666 -2.587 . . . . 0.0 105.714 175.054 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.7 46.5 Favored 'General case' 0 C--N 1.285 -2.231 0 O-C-N 127.455 2.972 . . . . 0.0 105.902 177.916 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.772 0 CA-C-O 117.617 -1.182 . . . . 0.0 111.549 176.564 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.2 139.94 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 103.556 -2.757 . . . . 0.0 103.556 175.16 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.119 0.485 . . . . 0.0 109.875 178.435 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.532 ' O ' ' H73' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' LEU . . . -96.06 136.43 36.52 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -75.46 17.14 0.29 Allowed 'General case' 0 C--O 1.272 2.284 0 CA-C-O 113.375 -3.202 . . . . 0.0 105.476 -179.292 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 70.53 -82.51 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.917 0 O-C-N 125.812 1.945 . . . . 0.0 109.826 179.404 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -167.86 150.85 5.84 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 113.76 -1.564 . . . . 0.0 108.859 -179.443 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.07 155.85 26.38 Favored Glycine 0 C--O 1.243 0.677 0 CA-C-N 114.629 -1.169 . . . . 0.0 115.091 -179.433 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 CA-C-O 116.432 -2.315 . . . . 0.0 108.376 179.276 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.24 31.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 126.978 2.674 . . . . 0.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 173.393 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.23 49.45 Favored 'General case' 0 N--CA 1.512 2.645 1 O-C-N 130.475 4.859 . . . . 0.0 108.761 179.583 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.19 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.389 -3.195 . . . . 0.0 105.506 175.814 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.09 127.49 41.19 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.372 4.17 . . . . 0.0 108.059 -178.167 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.55 170.76 8.37 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.52 -6.87 49.23 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.054 0.846 . . . . 0.0 112.555 -177.937 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 15.03 30.13 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 115.774 -2.371 . . . . 0.0 111.968 179.972 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.47 80.39 Favored Glycine 0 C--N 1.297 -1.6 0 O-C-N 120.109 -1.619 . . . . 0.0 116.092 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.06 34.44 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 174.959 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.76 55.35 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 126.611 2.445 . . . . 0.0 105.99 176.179 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.45 141.98 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 127.64 3.088 . . . . 0.0 109.033 179.651 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.76 36.69 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.268 -1.773 . . . . 0.0 108.25 178.147 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.42 154.03 44.21 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.333 -2.27 . . . . 0.0 108.463 -179.19 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.43 Favored 'General case' 0 N--CA 1.499 1.986 1 O-C-N 129.182 4.051 . . . . 0.0 103.567 173.973 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.06 170.63 15.83 Favored 'Isoleucine or valine' 0 C--O 1.252 1.206 0 O-C-N 127.691 3.119 . . . . 0.0 111.214 -177.883 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.46 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.199 -2.273 . . . . 0.0 106.335 174.673 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.4 39.19 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.564 2.176 . . . . 0.0 111.957 177.727 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.92 -8.16 59.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.88 -177.496 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.52 47.5 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 117.36 -1.736 . . . . 0.0 109.836 -179.032 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.4 21.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.726 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.23 77.09 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 127.217 2.823 . . . . 0.0 110.327 175.805 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.428 -0.795 . . . . 0.0 110.769 176.988 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.47 86.76 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.292 1.037 . . . . 0.0 111.543 -179.633 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.42 89.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 125.1 1.5 . . . . 0.0 109.375 178.459 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -38.0 83.88 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.06 87.29 Favored 'General case' 0 C--O 1.279 2.646 0 CA-C-N 118.01 0.368 . . . . 0.0 111.211 176.856 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.27 86.9 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 120.339 -1.476 . . . . 0.0 110.838 176.016 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.97 -39.47 77.49 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 179.887 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.21 -48.58 79.36 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.5 2.571 . . . . 0.0 109.036 179.439 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.75 179.114 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.63 -24.31 17.95 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -175.667 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.37 8.06 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.102 2.683 . . . . 0.0 113.96 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.33 90.13 Favored Glycine 0 CA--C 1.478 -2.242 0 N-CA-C 118.866 2.307 . . . . 0.0 118.866 176.542 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.85 83.3 Favored Pre-proline 0 C--O 1.243 0.753 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.987 179.707 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.97 136.89 79.34 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.162 2.575 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.19 92.62 Favored 'Trans proline' 0 C--O 1.261 1.675 0 C-N-CA 120.678 0.918 . . . . 0.0 113.397 -179.326 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.18 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 120.007 -1.683 . . . . 0.0 112.188 -177.435 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.79 -10.44 29.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.494 -1.379 . . . . 0.0 112.035 178.706 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.81 129.71 34.78 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 124.332 2.015 . . . . 0.0 115.627 -177.646 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.92 23.9 Favored 'General case' 0 C--O 1.296 3.512 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 172.079 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.31 50.99 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 119.454 1.024 . . . . 0.0 109.989 -177.57 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.12 131.83 72.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 O-C-N 125.144 1.528 . . . . 0.0 111.881 -177.509 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 177.538 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.95 19.56 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 112.313 -2.221 . . . . 0.0 110.752 177.369 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.81 21.54 61.05 Favored Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 128.413 2.911 . . . . 0.0 117.504 -179.5 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.64 46.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.702 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.79 130.3 34.59 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.571 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.57 138.36 37.45 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 117.693 -1.146 . . . . 0.0 110.026 -175.925 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.87 140.0 36.75 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 125.084 1.49 . . . . 0.0 109.931 -177.746 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.2 -42.23 29.4 Favored 'General case' 0 C--O 1.265 1.891 0 N-CA-C 120.729 3.603 . . . . 0.0 120.729 -175.817 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.88 85.23 Favored Glycine 0 CA--C 1.492 -1.401 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -177.307 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.58 17.04 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 119.994 -1.886 . . . . 0.0 107.984 176.532 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.63 11.62 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.076 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.25 -36.23 79.42 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.181 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.93 -29.59 70.75 Favored 'General case' 0 C--O 1.267 2.005 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.154 -179.494 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.6 -39.26 70.51 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.457 1.123 . . . . 0.0 110.703 179.772 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.08 4.72 51.4 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.702 -1.142 . . . . 0.0 113.025 179.293 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.54 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.525 1.966 . . . . 0.0 111.179 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.45 30.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.114 -2.374 . . . . 0.0 106.198 175.833 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.41 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 126.082 2.113 . . . . 0.0 109.532 -176.809 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 143.08 26.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 123.183 1.468 . . . . 0.0 109.28 -176.96 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.19 10.66 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 179.473 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.14 159.54 34.5 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 174.843 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.25 126.69 52.1 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.008 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.62 19.12 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 114.679 -2.581 . . . . 0.0 105.715 175.047 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.75 46.42 Favored 'General case' 0 C--N 1.285 -2.205 0 O-C-N 127.471 2.982 . . . . 0.0 105.885 177.931 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.818 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.494 176.602 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.08 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 175.127 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.178 0.513 . . . . 0.0 109.815 178.456 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.532 ' H73' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' H81' ' A' ' 102' ' ' MTN . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.76 36.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -139.47 176.8 8.41 Favored 'General case' 0 C--O 1.272 2.278 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.515 179.506 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . -165.2 158.53 16.58 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.807 1.942 . . . . 0.0 109.84 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -167.93 146.99 4.71 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 113.839 -1.528 . . . . 0.0 108.854 -179.467 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -51.73 48.87 Favored Glycine 0 C--O 1.244 0.732 0 CA-C-N 114.598 -1.183 . . . . 0.0 115.063 -179.773 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.474 0 CA-C-O 116.366 -2.352 . . . . 0.0 108.351 179.134 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.07 138.28 31.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 126.943 2.652 . . . . 0.0 108.909 178.302 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.0 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.667 173.365 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.654 1 O-C-N 130.461 4.85 . . . . 0.0 108.746 179.565 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.08 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.495 175.797 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.5 41.23 Favored 'General case' 0 N--CA 1.504 2.246 1 O-C-N 129.399 4.187 . . . . 0.0 108.068 -178.184 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.74 8.4 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.98 49.75 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.063 0.852 . . . . 0.0 112.585 -177.962 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.38 14.98 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 115.794 -2.362 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.41 16.48 80.36 Favored Glycine 0 C--N 1.298 -1.571 0 O-C-N 120.135 -1.603 . . . . 0.0 116.126 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.05 34.43 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 174.979 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.93 131.8 55.32 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 126.584 2.427 . . . . 0.0 106.031 176.158 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 141.98 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.568 3.043 . . . . 0.0 109.04 179.649 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.43 139.77 36.64 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 117.224 -1.79 . . . . 0.0 108.234 178.116 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.43 153.98 44.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.465 -179.182 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.2 44.41 Favored 'General case' 0 N--CA 1.499 2.015 1 O-C-N 129.241 4.088 . . . . 0.0 103.55 174.025 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 O-C-N 127.672 3.108 . . . . 0.0 111.231 -177.876 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.98 144.49 37.65 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 112.186 -2.279 . . . . 0.0 106.345 174.688 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.48 39.58 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 C-N-CA 122.6 2.2 . . . . 0.0 111.949 177.703 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.88 -8.07 59.09 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.889 -177.481 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.15 148.53 47.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 117.387 -1.725 . . . . 0.0 109.89 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.82 160.45 21.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.717 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.25 -37.29 77.21 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 127.174 2.796 . . . . 0.0 110.428 175.708 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.57 -40.48 79.05 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.419 -0.801 . . . . 0.0 110.741 176.98 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.47 -44.44 87.15 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.306 1.043 . . . . 0.0 111.562 -179.627 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.4 -46.42 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 125.094 1.496 . . . . 0.0 109.331 178.478 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.8 -37.97 83.75 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.789 -179.803 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.03 87.12 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-N 117.975 0.352 . . . . 0.0 111.226 176.871 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.3 86.99 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 120.378 -1.451 . . . . 0.0 110.799 176.033 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.98 -39.46 77.45 Favored 'Isoleucine or valine' 0 C--O 1.252 1.205 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.922 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.62 79.21 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 125.543 2.592 . . . . 0.0 108.994 179.514 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.47 -41.71 66.46 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.681 -1.6 . . . . 0.0 111.763 179.149 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.61 -24.4 17.93 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.014 2.228 . . . . 0.0 117.014 -175.677 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.55 -6.44 8.1 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 123.064 2.665 . . . . 0.0 113.974 179.834 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.24 5.35 90.11 Favored Glycine 0 CA--C 1.477 -2.29 0 N-CA-C 118.921 2.328 . . . . 0.0 118.921 176.542 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.71 124.84 83.36 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.814 -1.154 . . . . 0.0 111.032 179.692 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.88 79.33 Favored 'Trans proline' 0 C--O 1.26 1.587 0 C-N-CA 123.148 2.565 . . . . 0.0 110.942 178.179 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.15 92.6 Favored 'Trans proline' 0 C--O 1.262 1.687 0 O-C-N 122.862 0.927 . . . . 0.0 113.439 -179.362 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.25 -15.5 63.6 Favored 'General case' 0 C--O 1.264 1.816 0 O-C-N 119.974 -1.704 . . . . 0.0 112.213 -177.453 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.48 28.8 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 120.511 -1.368 . . . . 0.0 112.02 178.743 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.82 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 124.288 1.994 . . . . 0.0 115.616 -177.632 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.9 23.88 Favored 'General case' 0 C--O 1.296 3.526 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.097 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.62 130.27 51.03 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 119.481 1.037 . . . . 0.0 109.966 -177.539 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 O-C-N 125.138 1.524 . . . . 0.0 111.914 -177.496 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.23 129.66 18.94 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.415 -2.068 . . . . 0.0 105.415 177.513 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.02 19.55 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.793 177.412 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.74 21.59 60.93 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.343 2.877 . . . . 0.0 117.522 -179.51 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.05 142.62 46.39 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.705 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.75 130.2 34.62 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.545 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.46 138.37 37.56 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.011 -175.891 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.01 36.76 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.112 1.508 . . . . 0.0 109.951 -177.731 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.23 29.83 Favored 'General case' 0 C--O 1.265 1.899 0 N-CA-C 120.7 3.593 . . . . 0.0 120.7 -175.808 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.83 85.32 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 116.108 1.203 . . . . 0.0 116.108 -177.32 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.62 16.96 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.056 -1.849 . . . . 0.0 107.983 176.522 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.6 164.55 11.68 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.125 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.14 -36.27 79.33 Favored 'General case' 0 C--O 1.202 -1.403 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.135 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.56 70.74 Favored 'General case' 0 C--O 1.267 2.008 0 C-N-CA 117.311 -1.755 . . . . 0.0 112.161 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.63 -39.32 70.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 122.454 1.121 . . . . 0.0 110.733 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.68 51.46 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.636 -1.173 . . . . 0.0 112.927 179.321 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.91 45.4 18.35 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 121.607 2.003 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.71 116.41 30.32 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.129 -2.367 . . . . 0.0 106.142 175.825 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.43 169.48 8.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 126.075 2.109 . . . . 0.0 109.522 -176.876 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -54.67 143.06 26.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 123.273 1.511 . . . . 0.0 109.206 -176.867 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.84 19.23 10.69 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 179.448 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.09 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 174.748 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.69 52.13 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.974 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.754 -2.546 . . . . 0.0 105.701 174.999 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.57 135.78 46.35 Favored 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.411 2.945 . . . . 0.0 105.863 177.926 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.81 30.82 Favored 'General case' 0 C--O 1.282 2.78 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.493 176.574 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.99 28.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 175.095 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.202 0.525 . . . . 0.0 109.836 178.47 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.571 ' H81' ' O ' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.3 t -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.635 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . -96.06 135.73 37.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.635 ' O ' ' O ' ' A' ' 71' ' ' LEU . . . 153.83 -158.17 0.0 OUTLIER 'General case' 0 C--O 1.272 2.27 0 CA-C-O 113.386 -3.197 . . . . 0.0 105.495 173.33 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 80.16 108.7 0.07 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 125.821 1.951 . . . . 0.0 109.833 179.043 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . 54.12 -171.55 0.05 OUTLIER 'General case' 0 C--O 1.245 0.838 0 CA-C-N 113.796 -1.547 . . . . 0.0 108.857 -179.443 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . 92.73 9.68 60.98 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.675 -1.148 . . . . 0.0 115.111 -179.473 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 116.375 -2.347 . . . . 0.0 108.367 179.23 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.27 31.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 127.006 2.691 . . . . 0.0 108.908 178.286 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 173.359 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.15 49.53 Favored 'General case' 0 N--CA 1.512 2.636 1 O-C-N 130.441 4.838 . . . . 0.0 108.82 179.541 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.04 114.17 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 113.416 -3.183 . . . . 0.0 105.489 175.874 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.08 127.49 41.17 Favored 'General case' 0 N--CA 1.504 2.259 1 O-C-N 129.403 4.189 . . . . 0.0 108.086 -178.191 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.58 170.76 8.37 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.8 -1.095 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.42 -6.95 49.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 124.064 0.853 . . . . 0.0 112.626 -177.982 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.36 14.95 30.37 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.859 -2.336 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.47 80.3 Favored Glycine 0 C--N 1.297 -1.599 0 O-C-N 120.163 -1.586 . . . . 0.0 116.109 179.75 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.26 138.03 34.46 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 174.94 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.75 55.33 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 126.605 2.441 . . . . 0.0 106.046 176.116 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.49 142.01 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 127.636 3.085 . . . . 0.0 109.014 179.708 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.79 36.66 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.236 -1.786 . . . . 0.0 108.236 178.098 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.05 44.14 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 115.354 -2.26 . . . . 0.0 108.447 -179.208 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.88 121.23 44.48 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.218 4.074 . . . . 0.0 103.572 174.003 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.64 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 O-C-N 127.701 3.125 . . . . 0.0 111.199 -177.854 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-N 112.202 -2.272 . . . . 0.0 106.289 174.728 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.95 -24.45 39.43 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 122.531 2.154 . . . . 0.0 111.932 177.702 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.95 -8.1 59.15 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.889 -177.455 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.51 47.53 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.332 -1.747 . . . . 0.0 109.887 -179.079 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.79 160.44 21.21 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 175.717 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.192 2.807 . . . . 0.0 110.37 175.746 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.44 79.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.382 -0.824 . . . . 0.0 110.749 176.984 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.53 -44.45 86.87 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 124.286 1.035 . . . . 0.0 111.574 -179.668 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.34 -46.43 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 125.037 1.46 . . . . 0.0 109.308 178.479 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.92 83.75 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.95 86.87 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 117.997 0.362 . . . . 0.0 111.187 176.883 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.27 -37.36 87.23 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.412 -1.43 . . . . 0.0 110.773 176.029 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.96 -39.53 77.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.951 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.19 -48.54 79.58 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.481 2.562 . . . . 0.0 109.039 179.458 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.51 -41.74 66.63 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.777 179.091 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.56 -24.44 17.95 Favored 'General case' 0 C--O 1.279 2.651 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -175.635 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.52 -6.42 8.12 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 123.139 2.7 . . . . 0.0 113.965 179.811 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.36 90.12 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.501 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.7 124.81 83.4 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 118.802 -1.159 . . . . 0.0 111.033 179.675 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.183 2.589 . . . . 0.0 110.916 178.2 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.26 -32.09 92.67 Favored 'Trans proline' 0 C--O 1.261 1.674 0 O-C-N 122.907 0.951 . . . . 0.0 113.438 -179.34 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.26 -15.51 63.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 119.96 -1.713 . . . . 0.0 112.22 -177.485 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.45 28.86 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.553 -1.342 . . . . 0.0 112.04 178.715 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.67 34.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 124.293 1.996 . . . . 0.0 115.668 -177.667 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.97 23.98 Favored 'General case' 0 C--O 1.295 3.484 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 172.122 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.6 130.27 51.0 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 119.41 1.004 . . . . 0.0 109.991 -177.545 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.08 131.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 125.133 1.521 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.22 129.68 18.96 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.567 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.02 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 112.248 -2.251 . . . . 0.0 110.753 177.355 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 21.52 60.95 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 128.399 2.904 . . . . 0.0 117.526 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.7 46.28 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.698 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.28 34.6 Favored 'General case' 0 C--O 1.26 1.605 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 174.587 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.54 138.39 37.49 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.016 -175.858 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.92 140.01 36.78 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 125.022 1.451 . . . . 0.0 109.952 -177.745 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.18 -42.23 29.23 Favored 'General case' 0 C--O 1.265 1.888 0 N-CA-C 120.71 3.596 . . . . 0.0 120.71 -175.803 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 -8.92 85.17 Favored Glycine 0 CA--C 1.492 -1.395 0 N-CA-C 116.148 1.219 . . . . 0.0 116.148 -177.379 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.43 165.58 17.07 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 119.979 -1.895 . . . . 0.0 108.015 176.513 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.57 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 177.131 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.19 79.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.103 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.85 -29.67 70.84 Favored 'General case' 0 C--O 1.268 2.053 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.145 -179.49 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.61 -39.26 70.54 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.503 1.144 . . . . 0.0 110.76 179.73 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.0 4.67 51.46 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 112.967 179.309 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.85 45.39 18.55 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 121.521 1.964 . . . . 0.0 111.187 179.857 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.37 30.22 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-O 115.089 -2.386 . . . . 0.0 106.192 175.851 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.35 169.53 8.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 126.152 2.157 . . . . 0.0 109.528 -176.844 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.551 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 22.6 pttp -54.79 143.08 26.62 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.184 1.469 . . . . 0.0 109.285 -176.938 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.89 19.16 10.66 Favored 'General case' 0 C--O 1.256 1.438 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.08 159.51 34.58 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.813 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.22 126.72 52.2 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.669 175.989 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.18 154.61 19.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.659 -2.591 . . . . 0.0 105.711 175.027 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.6 135.78 46.38 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 127.462 2.976 . . . . 0.0 105.904 177.924 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.04 115.8 30.81 Favored 'General case' 0 C--O 1.282 2.794 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.507 176.573 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.16 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.132 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.164 0.507 . . . . 0.0 109.836 178.421 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.613 ' SG ' ' H2 ' ' A' ' 102' ' ' MTN . 0.1 OUTLIER -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' S1 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 136.94 35.84 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -147.27 162.75 38.3 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 113.356 -3.211 . . . . 0.0 105.492 179.436 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ARG . . . -157.61 -167.58 2.31 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 125.858 1.974 . . . . 0.0 109.838 -179.646 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' ARG . . . -147.74 159.55 43.68 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 113.78 -1.555 . . . . 0.0 108.832 -179.321 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.95 166.97 12.68 Favored Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.667 -1.151 . . . . 0.0 115.058 -179.434 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 CA-C-O 116.414 -2.326 . . . . 0.0 108.409 179.194 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.25 31.74 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 126.993 2.683 . . . . 0.0 108.894 178.346 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.14 163.03 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 173.396 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.92 140.24 49.44 Favored 'General case' 0 N--CA 1.512 2.652 1 O-C-N 130.444 4.84 . . . . 0.0 108.777 179.569 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-O 113.367 -3.206 . . . . 0.0 105.51 175.824 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.14 127.47 41.22 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.396 4.185 . . . . 0.0 108.01 -178.156 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.48 170.72 8.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.39 -6.97 49.64 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.026 0.829 . . . . 0.0 112.62 -177.954 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.07 30.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 115.814 -2.354 . . . . 0.0 111.989 179.952 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.35 16.53 80.36 Favored Glycine 0 C--N 1.298 -1.582 0 O-C-N 120.09 -1.631 . . . . 0.0 116.122 179.761 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.28 138.02 34.49 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 174.997 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 126.612 2.445 . . . . 0.0 106.037 176.144 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.47 141.99 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 127.613 3.07 . . . . 0.0 109.036 179.671 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.79 36.63 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 117.217 -1.793 . . . . 0.0 108.241 178.136 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.01 44.19 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.31 -2.281 . . . . 0.0 108.481 -179.164 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.87 121.21 44.42 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.219 4.075 . . . . 0.0 103.573 173.999 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.1 170.65 15.76 Favored 'Isoleucine or valine' 0 C--O 1.251 1.153 0 O-C-N 127.736 3.147 . . . . 0.0 111.231 -177.929 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.96 144.49 37.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 112.152 -2.294 . . . . 0.0 106.314 174.707 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.89 -24.5 39.24 Favored 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 122.52 2.147 . . . . 0.0 111.936 177.746 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.84 -8.16 59.12 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.899 -177.523 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.0 148.48 47.6 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 117.389 -1.724 . . . . 0.0 109.852 -179.032 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.8 160.43 21.21 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.722 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.28 -37.27 77.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 127.226 2.829 . . . . 0.0 110.424 175.735 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.64 -40.42 79.21 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.321 -0.862 . . . . 0.0 110.756 176.983 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.45 -44.5 87.04 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.281 1.032 . . . . 0.0 111.52 -179.661 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.43 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.044 1.465 . . . . 0.0 109.309 178.511 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.78 -37.98 83.72 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.02 87.13 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-N 118.028 0.376 . . . . 0.0 111.213 176.875 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.26 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 120.472 -1.392 . . . . 0.0 110.816 175.999 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.92 -39.51 77.64 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.932 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.23 -48.59 79.3 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 125.484 2.564 . . . . 0.0 108.992 179.489 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.42 -41.76 66.37 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.711 -1.586 . . . . 0.0 111.772 179.102 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.46 17.93 Favored 'General case' 0 C--O 1.28 2.676 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -175.666 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.57 -6.39 8.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 123.081 2.673 . . . . 0.0 113.939 179.801 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.25 5.31 90.14 Favored Glycine 0 CA--C 1.478 -2.257 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.518 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.68 124.87 83.41 Favored Pre-proline 0 C--O 1.243 0.73 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.029 179.683 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.01 136.99 80.01 Favored 'Trans proline' 0 C--O 1.259 1.551 0 C-N-CA 123.164 2.576 . . . . 0.0 110.96 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.14 92.78 Favored 'Trans proline' 0 C--O 1.262 1.703 0 O-C-N 122.865 0.929 . . . . 0.0 113.439 -179.334 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.23 -15.56 63.63 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 119.915 -1.741 . . . . 0.0 112.219 -177.43 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.52 28.81 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.474 -1.391 . . . . 0.0 112.039 178.671 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.8 129.73 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.344 2.021 . . . . 0.0 115.626 -177.676 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.27 115.96 23.96 Favored 'General case' 0 C--O 1.296 3.52 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.113 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.61 130.24 51.02 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.471 1.032 . . . . 0.0 109.931 -177.495 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.09 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 125.168 1.543 . . . . 0.0 111.892 -177.518 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.25 129.67 18.92 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 177.554 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.227 -2.26 . . . . 0.0 110.79 177.388 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 21.61 61.17 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 128.365 2.888 . . . . 0.0 117.488 -179.525 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.07 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.677 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.23 34.61 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 174.562 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.5 138.35 37.51 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.041 -175.868 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.89 140.04 36.71 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 125.029 1.456 . . . . 0.0 109.938 -177.691 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.21 -42.27 29.57 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 120.726 3.602 . . . . 0.0 120.726 -175.819 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.88 -8.85 85.28 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.119 1.207 . . . . 0.0 116.119 -177.353 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.47 165.53 17.08 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 120.053 -1.851 . . . . 0.0 107.993 176.48 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.56 164.61 11.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.23 -36.21 79.34 Favored 'General case' 0 C--O 1.202 -1.407 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.15 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.88 -29.6 70.76 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 117.344 -1.742 . . . . 0.0 112.176 -179.482 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.59 -39.29 70.52 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.475 1.131 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.05 4.68 51.47 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.01 179.226 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.38 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 121.55 1.977 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.44 30.37 Favored 'Isoleucine or valine' 0 C--O 1.268 2.059 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.208 175.79 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.42 169.53 8.48 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 126.034 2.084 . . . . 0.0 109.528 -176.846 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.574 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 21.1 pttp -54.78 143.05 26.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 123.195 1.474 . . . . 0.0 109.268 -176.889 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.45 34.68 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.838 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.12 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.938 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.67 19.08 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.706 -2.569 . . . . 0.0 105.72 175.034 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.63 135.8 46.39 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 127.422 2.951 . . . . 0.0 105.888 177.927 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.282 2.804 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.516 176.609 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 175.155 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 121.143 0.496 . . . . 0.0 109.842 178.421 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.613 ' H2 ' ' SG ' ' A' ' 48' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.572 ' H ' ' H2 ' ' A' ' 102' ' ' MTN . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 138.14 34.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . 171.68 -179.72 0.06 Allowed 'General case' 0 C--O 1.272 2.254 0 CA-C-O 113.392 -3.194 . . . . 0.0 105.502 -179.573 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 72' ' ' ARG . . . 73.47 93.92 0.08 Allowed 'General case' 0 C--N 1.292 -1.898 0 O-C-N 125.813 1.946 . . . . 0.0 109.849 -179.902 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -152.29 -172.49 4.25 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.865 -179.438 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 76' ' ' GLY . . . -22.63 145.27 0.01 OUTLIER Glycine 0 C--O 1.244 0.724 0 CA-C-N 114.663 -1.153 . . . . 0.0 115.088 -179.364 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' B' ' 63' ' ' LYS . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.353 -2.359 . . . . 0.0 108.368 179.105 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.99 138.21 31.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 126.922 2.639 . . . . 0.0 108.946 178.268 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.12 163.01 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 CA-C-O 115.923 -1.989 . . . . 0.0 105.673 173.404 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.512 2.642 1 O-C-N 130.473 4.858 . . . . 0.0 108.82 179.586 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.09 114.2 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.496 175.834 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.13 127.52 41.25 Favored 'General case' 0 N--CA 1.504 2.239 1 O-C-N 129.39 4.181 . . . . 0.0 108.029 -178.166 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.51 170.76 8.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.832 -1.08 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.93 49.53 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 124.054 0.846 . . . . 0.0 112.607 -177.969 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.34 14.95 30.38 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 115.783 -2.367 . . . . 0.0 112.001 179.95 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.51 80.28 Favored Glycine 0 C--N 1.298 -1.545 0 O-C-N 120.08 -1.637 . . . . 0.0 116.169 179.756 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.31 138.06 34.46 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 174.984 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.88 131.8 55.36 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 126.623 2.452 . . . . 0.0 105.989 176.185 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.02 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 127.607 3.067 . . . . 0.0 109.059 179.647 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.8 36.62 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 117.275 -1.77 . . . . 0.0 108.196 178.128 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.48 154.0 44.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 115.389 -2.243 . . . . 0.0 108.475 -179.225 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.85 121.2 44.39 Favored 'General case' 0 N--CA 1.499 2.008 1 O-C-N 129.156 4.035 . . . . 0.0 103.565 174.037 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.07 170.64 15.81 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 O-C-N 127.747 3.155 . . . . 0.0 111.193 -177.888 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.95 144.49 37.61 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.099 -2.319 . . . . 0.0 106.345 174.664 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.46 39.29 Favored 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 122.584 2.19 . . . . 0.0 111.934 177.699 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.913 -177.522 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.02 148.48 47.57 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 117.319 -1.752 . . . . 0.0 109.88 -179.049 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.81 160.4 21.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.69 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.18 -37.3 77.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 O-C-N 127.164 2.79 . . . . 0.0 110.358 175.8 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.6 -40.46 79.12 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.343 -0.848 . . . . 0.0 110.756 177.008 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.49 -44.43 87.12 Favored 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.274 1.03 . . . . 0.0 111.501 -179.653 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.31 -46.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 125.1 1.5 . . . . 0.0 109.333 178.501 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.85 -37.98 83.94 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.797 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.07 87.28 Favored 'General case' 0 C--O 1.279 2.62 0 CA-C-N 117.973 0.352 . . . . 0.0 111.243 176.884 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.3 87.01 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 120.416 -1.427 . . . . 0.0 110.756 176.006 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.43 77.4 Favored 'Isoleucine or valine' 0 C--O 1.252 1.211 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.2 -48.61 79.24 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 125.552 2.596 . . . . 0.0 109.028 179.456 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.44 -41.74 66.39 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.734 179.124 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.6 -24.36 17.95 Favored 'General case' 0 C--O 1.279 2.629 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -175.645 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.62 -6.32 8.07 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.097 2.68 . . . . 0.0 113.96 179.802 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.16 5.42 90.1 Favored Glycine 0 CA--C 1.477 -2.311 0 N-CA-C 118.892 2.317 . . . . 0.0 118.892 176.513 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.006 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.95 136.93 79.53 Favored 'Trans proline' 0 C--O 1.259 1.563 0 C-N-CA 123.127 2.551 . . . . 0.0 110.921 178.194 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.24 -32.1 92.63 Favored 'Trans proline' 0 C--O 1.262 1.713 0 O-C-N 122.886 0.94 . . . . 0.0 113.44 -179.35 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 119.922 -1.736 . . . . 0.0 112.226 -177.471 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.5 28.88 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.515 -1.366 . . . . 0.0 112.07 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.79 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.287 1.994 . . . . 0.0 115.664 -177.656 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.23 115.97 24.03 Favored 'General case' 0 C--O 1.295 3.494 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 172.092 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.58 130.21 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.427 1.012 . . . . 0.0 110.016 -177.549 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.84 72.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 O-C-N 125.165 1.54 . . . . 0.0 111.925 -177.46 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.2 129.73 19.03 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 177.496 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.02 46.04 19.22 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.271 -2.24 . . . . 0.0 110.778 177.406 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.7 21.66 60.96 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.311 2.863 . . . . 0.0 117.517 -179.511 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.09 142.65 46.35 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.701 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.74 130.27 34.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 174.513 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.58 138.39 37.45 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.019 -175.857 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.88 140.01 36.74 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.035 1.459 . . . . 0.0 109.977 -177.724 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.24 -42.24 29.82 Favored 'General case' 0 C--O 1.266 1.935 0 N-CA-C 120.7 3.592 . . . . 0.0 120.7 -175.799 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -8.84 85.31 Favored Glycine 0 CA--C 1.492 -1.385 0 N-CA-C 116.142 1.217 . . . . 0.0 116.142 -177.347 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.53 165.61 16.96 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.035 -1.862 . . . . 0.0 108.009 176.506 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.58 164.58 11.66 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.128 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.22 -36.2 79.29 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 177.21 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.59 70.75 Favored 'General case' 0 C--O 1.269 2.082 0 C-N-CA 117.308 -1.757 . . . . 0.0 112.143 -179.481 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.66 -39.26 70.66 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.498 1.142 . . . . 0.0 110.732 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.64 51.56 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 117.69 -1.148 . . . . 0.0 112.992 179.255 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.96 45.36 18.27 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.589 1.995 . . . . 0.0 111.211 179.882 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.65 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.268 2.058 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.164 175.815 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.51 8.5 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.037 2.086 . . . . 0.0 109.51 -176.81 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.522 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 20.2 ttpp -54.77 143.07 26.58 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 123.182 1.468 . . . . 0.0 109.283 -176.936 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.13 10.64 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 179.462 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.1 159.49 34.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 174.794 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.16 126.68 52.15 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.0 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.13 154.63 19.09 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 114.72 -2.562 . . . . 0.0 105.707 175.006 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.59 135.83 46.27 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 127.44 2.962 . . . . 0.0 105.909 177.92 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.12 115.82 30.84 Favored 'General case' 0 C--O 1.282 2.785 0 CA-C-O 117.578 -1.201 . . . . 0.0 111.541 176.574 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.92 28.59 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.594 -2.743 . . . . 0.0 103.594 175.128 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.209 0.528 . . . . 0.0 109.827 178.455 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.572 ' H2 ' ' H ' ' A' ' 49' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' O ' ' S1 ' ' A' ' 102' ' ' MTN . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 132.98 40.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.69 -64.82 1.09 Allowed 'General case' 0 C--O 1.272 2.246 0 CA-C-O 113.398 -3.191 . . . . 0.0 105.461 179.525 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 69.5 90.39 0.1 Allowed 'General case' 0 C--N 1.293 -1.885 0 O-C-N 125.872 1.982 . . . . 0.0 109.85 -179.854 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -141.2 156.7 45.88 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.835 -179.41 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -88.67 -157.83 33.05 Favored Glycine 0 C--O 1.243 0.713 0 CA-C-N 114.68 -1.146 . . . . 0.0 115.089 -179.399 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 CA--C 1.538 1.477 0 CA-C-O 116.384 -2.342 . . . . 0.0 108.345 179.273 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.04 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 126.979 2.674 . . . . 0.0 108.906 178.32 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.15 163.04 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.28 0 N-CA-C 105.628 -1.989 . . . . 0.0 105.628 173.384 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.88 140.19 49.47 Favored 'General case' 0 N--CA 1.512 2.634 1 O-C-N 130.467 4.854 . . . . 0.0 108.786 179.57 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.11 114.17 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 113.391 -3.195 . . . . 0.0 105.492 175.858 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.11 127.5 41.22 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.424 4.203 . . . . 0.0 108.055 -178.165 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.53 170.73 8.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.43 -6.95 49.6 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 124.097 0.873 . . . . 0.0 112.588 -177.926 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.4 15.01 30.2 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.825 -2.35 . . . . 0.0 111.981 179.962 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.5 80.3 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.089 -1.632 . . . . 0.0 116.14 179.755 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.33 138.04 34.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 174.983 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.9 131.82 55.35 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 126.585 2.428 . . . . 0.0 106.048 176.187 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.51 142.05 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 127.567 3.042 . . . . 0.0 109.085 179.692 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.48 139.81 36.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.269 178.139 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.46 154.01 44.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.428 -179.159 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.24 44.51 Favored 'General case' 0 N--CA 1.499 1.989 1 O-C-N 129.225 4.078 . . . . 0.0 103.578 173.972 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.15 170.67 15.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.185 0 O-C-N 127.719 3.137 . . . . 0.0 111.182 -177.87 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -119.97 144.48 37.59 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.147 -2.297 . . . . 0.0 106.355 174.663 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.97 -24.38 39.2 Favored 'Trans proline' 0 C--N 1.32 -0.925 0 C-N-CA 122.564 2.176 . . . . 0.0 111.921 177.699 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.96 -8.14 59.17 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.852 -177.44 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.03 148.47 47.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 117.341 -1.744 . . . . 0.0 109.89 -179.065 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.4 21.29 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 175.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.26 -37.21 77.04 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 O-C-N 127.136 2.772 . . . . 0.0 110.373 175.751 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.67 -40.4 79.29 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.378 -0.826 . . . . 0.0 110.727 176.96 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.54 -44.51 86.64 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 124.367 1.067 . . . . 0.0 111.509 -179.652 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.32 -46.42 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 125.119 1.512 . . . . 0.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.79 -37.93 83.59 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.733 -179.739 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.02 87.08 Favored 'General case' 0 C--O 1.278 2.602 0 CA-C-N 117.984 0.356 . . . . 0.0 111.243 176.888 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.25 -37.36 87.22 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 120.395 -1.441 . . . . 0.0 110.819 175.984 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.48 77.56 Favored 'Isoleucine or valine' 0 C--O 1.252 1.232 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.913 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.17 -48.64 79.17 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 125.503 2.573 . . . . 0.0 108.994 179.511 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.69 66.48 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 113.666 -1.606 . . . . 0.0 111.776 179.103 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.64 -24.39 17.92 Favored 'General case' 0 C--O 1.28 2.672 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -175.65 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.6 -6.33 8.08 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 123.133 2.697 . . . . 0.0 113.949 179.828 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.21 5.35 90.13 Favored Glycine 0 CA--C 1.477 -2.281 0 N-CA-C 118.879 2.312 . . . . 0.0 118.879 176.51 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.74 124.83 83.31 Favored Pre-proline 0 C--O 1.243 0.726 0 C-N-CA 118.764 -1.174 . . . . 0.0 110.988 179.726 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.91 136.94 79.5 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.187 2.592 . . . . 0.0 110.902 178.189 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.23 -32.19 92.86 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 122.841 0.916 . . . . 0.0 113.465 -179.376 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.22 -15.55 63.62 Favored 'General case' 0 C--O 1.263 1.802 0 O-C-N 119.93 -1.731 . . . . 0.0 112.213 -177.465 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.86 -10.43 28.9 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.527 -1.358 . . . . 0.0 112.08 178.686 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.85 129.68 34.78 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 124.286 1.993 . . . . 0.0 115.636 -177.64 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.24 115.91 23.89 Favored 'General case' 0 C--O 1.296 3.545 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.098 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.59 130.3 50.99 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 119.464 1.029 . . . . 0.0 109.994 -177.572 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.15 131.82 72.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 O-C-N 125.181 1.55 . . . . 0.0 111.871 -177.494 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.21 129.69 18.99 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 177.457 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.04 46.02 19.29 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 112.268 -2.242 . . . . 0.0 110.768 177.38 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.62 61.01 Favored Glycine 0 N--CA 1.433 -1.528 0 C-N-CA 128.339 2.876 . . . . 0.0 117.52 -179.448 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.04 142.67 46.33 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.71 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.76 130.3 34.59 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.608 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.6 138.39 37.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.078 -175.956 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.84 139.99 36.74 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 125.031 1.457 . . . . 0.0 109.945 -177.691 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.15 -42.3 29.13 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 120.725 3.602 . . . . 0.0 120.725 -175.823 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.81 -8.89 85.28 Favored Glycine 0 CA--C 1.491 -1.412 0 N-CA-C 116.099 1.199 . . . . 0.0 116.099 -177.315 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.52 165.55 17.02 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 120.007 -1.878 . . . . 0.0 107.991 176.547 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.51 164.6 11.64 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.083 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.16 -36.27 79.36 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.174 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.87 -29.59 70.76 Favored 'General case' 0 C--O 1.268 2.047 0 C-N-CA 117.316 -1.753 . . . . 0.0 112.164 -179.486 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.67 -39.24 70.66 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.478 1.132 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.04 4.7 51.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.708 -1.139 . . . . 0.0 113.004 179.269 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.89 45.37 18.48 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 121.566 1.984 . . . . 0.0 111.208 179.901 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.68 116.39 30.28 Favored 'Isoleucine or valine' 0 C--O 1.268 2.045 0 CA-C-O 115.096 -2.383 . . . . 0.0 106.182 175.827 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.38 169.55 8.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.122 2.139 . . . . 0.0 109.489 -176.821 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.8 143.06 26.74 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 123.215 1.483 . . . . 0.0 109.287 -176.917 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.93 19.17 10.64 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.931 2.567 . . . . 0.0 117.931 179.494 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.51 34.57 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.788 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.18 126.67 52.11 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 175.969 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.17 154.58 19.17 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 114.677 -2.582 . . . . 0.0 105.715 175.027 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.58 135.75 46.42 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 127.445 2.966 . . . . 0.0 105.88 177.909 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -107.02 115.87 30.94 Favored 'General case' 0 C--O 1.281 2.761 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.494 176.586 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.17 139.88 28.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 175.142 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.213 0.53 . . . . 0.0 109.824 178.466 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . 0.486 ' S1 ' ' O ' ' A' ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . . . -91.03 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 126.984 2.677 . . . . 0.0 108.909 178.295 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.08 163.06 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 CA-C-O 115.936 -1.983 . . . . 0.0 105.677 173.363 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . . . -116.0 140.26 49.44 Favored 'General case' 0 N--CA 1.512 2.651 1 O-C-N 130.495 4.872 . . . . 0.0 108.761 179.546 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.23 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 113.352 -3.213 . . . . 0.0 105.596 175.783 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.23 127.5 41.33 Favored 'General case' 0 N--CA 1.504 2.231 1 O-C-N 129.397 4.186 . . . . 0.0 108.042 -178.113 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . . . -99.52 170.75 8.38 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.48 -6.88 49.25 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.029 0.831 . . . . 0.0 112.674 -177.988 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . . . -101.39 14.92 30.49 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 115.768 -2.373 . . . . 0.0 111.982 179.942 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.39 16.57 80.28 Favored Glycine 0 C--N 1.297 -1.606 0 O-C-N 120.174 -1.579 . . . . 0.0 116.191 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.27 138.09 34.39 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 174.978 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . . . -119.94 131.79 55.31 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.623 2.452 . . . . 0.0 106.056 176.207 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.5 141.99 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.525 3.015 . . . . 0.0 109.052 179.719 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . . . -101.46 139.76 36.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 117.26 -1.776 . . . . 0.0 108.234 178.126 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.4 154.04 44.14 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.394 -2.241 . . . . 0.0 108.465 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.86 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.951 1 O-C-N 129.186 4.054 . . . . 0.0 103.58 174.016 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . -138.96 170.72 15.81 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 O-C-N 127.633 3.083 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.05 144.47 37.72 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 112.217 -2.265 . . . . 0.0 106.316 174.712 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.93 -24.48 39.43 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 122.578 2.186 . . . . 0.0 111.95 177.735 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . . . -79.9 -8.13 59.14 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.965 -177.539 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -70.95 148.45 47.69 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 117.342 -1.743 . . . . 0.0 109.891 -179.053 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -83.74 160.39 21.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 175.71 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.23 -37.26 77.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 O-C-N 127.089 2.743 . . . . 0.0 110.336 175.771 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.62 -40.21 78.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.482 -0.761 . . . . 0.0 110.746 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.3 m -67.12 -43.18 83.1 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 121.705 -0.622 . . . . 0.0 111.01 -179.495 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -57.68 -46.4 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.98 1.425 . . . . 0.0 109.196 178.984 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.83 -37.96 83.81 Favored 'General case' 0 C--O 1.255 1.387 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 -179.76 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.16 87.57 Favored 'General case' 0 C--O 1.278 2.592 0 CA-C-N 117.967 0.349 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 120.377 -1.452 . . . . 0.0 110.812 176.046 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.99 -39.58 77.59 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.911 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.1 -48.63 79.29 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 125.567 2.603 . . . . 0.0 109.087 179.448 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.45 -41.76 66.47 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.741 179.138 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.59 -24.35 17.96 Favored 'General case' 0 C--O 1.279 2.628 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.674 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.58 -6.38 8.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 123.145 2.702 . . . . 0.0 113.991 179.852 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.18 5.35 90.14 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 118.884 2.313 . . . . 0.0 118.884 176.526 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.76 124.9 83.24 Favored Pre-proline 0 C--O 1.244 0.811 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.041 179.752 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . . . -57.02 136.99 79.95 Favored 'Trans proline' 0 C--O 1.259 1.568 0 C-N-CA 123.17 2.58 . . . . 0.0 110.864 178.309 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.16 -32.18 92.68 Favored 'Trans proline' 0 C--O 1.261 1.64 0 O-C-N 122.904 0.949 . . . . 0.0 113.465 -179.352 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.17 -15.65 63.67 Favored 'General case' 0 C--O 1.263 1.795 0 O-C-N 119.92 -1.738 . . . . 0.0 112.241 -177.453 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.75 -10.53 28.91 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.511 -1.368 . . . . 0.0 112.03 178.757 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.437 2.065 . . . . 0.0 115.642 -177.601 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.25 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.539 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 172.105 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.2 50.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.515 1.052 . . . . 0.0 109.973 -177.494 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.07 131.78 72.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 O-C-N 125.074 1.484 . . . . 0.0 111.97 -177.549 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.26 129.61 18.85 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 177.616 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.03 19.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.26 -2.246 . . . . 0.0 110.739 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.66 20.17 59.07 Favored Glycine 0 N--CA 1.433 -1.531 0 C-N-CA 128.445 2.926 . . . . 0.0 117.464 -179.52 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 m -108.95 143.96 37.52 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 114.871 -2.49 . . . . 0.0 111.014 173.945 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -87.54 130.25 34.79 Favored 'General case' 0 C--N 1.274 -2.696 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 172.918 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.29 37.47 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.057 -175.866 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.8 139.97 36.72 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.028 1.455 . . . . 0.0 109.999 -177.735 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.25 -42.17 29.74 Favored 'General case' 0 C--O 1.264 1.839 0 N-CA-C 120.706 3.595 . . . . 0.0 120.706 -175.792 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.92 85.14 Favored Glycine 0 CA--C 1.492 -1.369 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -177.213 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.39 165.46 17.21 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.917 -1.931 . . . . 0.0 108.013 176.491 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . . . -104.53 164.55 11.67 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.101 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.18 -36.21 79.24 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.148 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . . . -63.95 -29.53 70.69 Favored 'General case' 0 C--O 1.268 2.068 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.191 -179.446 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.62 -39.29 70.59 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 122.464 1.126 . . . . 0.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . . . -90.95 4.54 51.7 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.711 -1.138 . . . . 0.0 113.003 179.289 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . . . 58.01 45.3 18.18 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 121.544 1.975 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.69 116.46 30.41 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 115.211 -2.328 . . . . 0.0 106.111 175.877 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.46 169.28 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 126.048 2.093 . . . . 0.0 109.485 -176.819 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -55.12 146.3 18.78 Favored 'General case' 0 C--N 1.379 1.853 0 CA-C-O 122.962 1.363 . . . . 0.0 110.985 -177.787 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.17 19.1 11.09 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 110.931 -2.849 . . . . 0.0 117.92 179.393 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . . . -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 174.84 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . . . -119.13 126.72 52.29 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 118.297 -0.858 . . . . 0.0 108.688 175.916 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.21 154.61 19.15 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 114.723 -2.561 . . . . 0.0 105.689 175.08 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.56 135.66 46.56 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 127.418 2.949 . . . . 0.0 105.843 177.997 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.98 115.83 30.86 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.453 176.58 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.15 139.94 28.49 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.848 0 N-CA-C 103.603 -2.74 . . . . 0.0 103.603 175.071 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . . . -96.06 134.04 39.58 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.202 0.525 . . . . 0.0 109.867 178.423 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . 166.22 -168.28 0.01 OUTLIER 'General case' 0 C--O 1.273 2.291 0 CA-C-O 113.395 -3.193 . . . . 0.0 105.527 -177.126 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . . . 77.54 36.84 0.26 Allowed 'General case' 0 C--N 1.292 -1.903 0 O-C-N 125.823 1.952 . . . . 0.0 109.867 179.839 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -156.55 130.69 8.55 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-N 113.8 -1.545 . . . . 0.0 108.8 -179.43 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.31 175.47 43.6 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 114.644 -1.162 . . . . 0.0 115.044 -179.569 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 CA-C-O 116.347 -2.363 . . . . 0.0 108.395 179.182 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . . . -90.98 138.23 31.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 126.972 2.67 . . . . 0.0 108.952 178.32 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . . . -131.17 163.05 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 173.413 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . . . -115.94 140.2 49.49 Favored 'General case' 0 N--CA 1.512 2.643 1 O-C-N 130.461 4.851 . . . . 0.0 108.77 179.593 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . . . -118.06 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 113.384 -3.198 . . . . 0.0 105.48 175.82 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . . . -95.17 127.51 41.29 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.405 4.19 . . . . 0.0 108.045 -178.177 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . . . -99.56 170.72 8.4 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . . . -73.41 -6.92 49.39 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.001 0.813 . . . . 0.0 112.606 -177.945 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . . . -101.35 14.96 30.34 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.787 -2.365 . . . . 0.0 111.958 179.981 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.5 80.36 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.123 -1.611 . . . . 0.0 116.101 179.725 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . . . -96.3 138.03 34.5 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 174.994 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . . . -119.85 131.78 55.37 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 126.613 2.445 . . . . 0.0 106.032 176.134 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . -109.46 141.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 127.603 3.064 . . . . 0.0 109.014 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . . . -101.47 139.75 36.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.253 -1.779 . . . . 0.0 108.221 178.091 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . . . -126.37 154.02 44.14 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.391 -179.18 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . . . -111.83 121.23 44.49 Favored 'General case' 0 N--CA 1.499 2.0 1 O-C-N 129.211 4.07 . . . . 0.0 103.596 173.978 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . . . -139.09 170.64 15.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 O-C-N 127.717 3.136 . . . . 0.0 111.222 -177.912 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . . . -120.01 144.48 37.67 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.297 174.702 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . . . -54.92 -24.51 39.44 Favored 'Trans proline' 0 C--N 1.32 -0.943 0 C-N-CA 122.562 2.175 . . . . 0.0 111.947 177.699 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . . . -79.85 -8.09 59.09 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.867 -177.509 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . . . -71.07 148.5 47.45 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.335 -1.746 . . . . 0.0 109.813 -179.002 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . . . -83.73 160.43 21.28 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.708 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . . . -61.32 -37.25 77.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 127.167 2.792 . . . . 0.0 110.354 175.765 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . . . -57.63 -40.4 79.1 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.348 -0.845 . . . . 0.0 110.722 176.98 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . . . -65.46 -44.46 87.13 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 124.367 1.067 . . . . 0.0 111.518 -179.636 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . . . -58.37 -46.41 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 125.043 1.465 . . . . 0.0 109.279 178.534 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . . . -60.81 -37.94 83.7 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.761 -179.773 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -38.08 87.19 Favored 'General case' 0 C--O 1.279 2.615 0 CA-C-N 118.014 0.37 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -64.28 -37.29 86.96 Favored 'General case' 0 C--O 1.256 1.401 0 O-C-N 120.375 -1.453 . . . . 0.0 110.792 175.988 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . . . -69.95 -39.47 77.53 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . . . -62.18 -48.62 79.26 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.548 2.594 . . . . 0.0 109.006 179.493 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.48 -41.71 66.52 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.73 179.201 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . . . -93.58 -24.43 17.94 Favored 'General case' 0 C--O 1.279 2.637 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -175.676 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . . . -123.56 -6.35 8.1 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 123.151 2.705 . . . . 0.0 113.911 179.858 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.44 90.09 Favored Glycine 0 CA--C 1.478 -2.273 0 N-CA-C 118.856 2.302 . . . . 0.0 118.856 176.535 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . . . -79.78 124.89 83.21 Favored Pre-proline 0 C--O 1.243 0.743 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.007 179.718 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . . . -56.98 136.87 79.23 Favored 'Trans proline' 0 C--O 1.259 1.55 0 C-N-CA 123.116 2.544 . . . . 0.0 110.937 178.208 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . . . -57.12 -32.25 92.8 Favored 'Trans proline' 0 C--O 1.261 1.667 0 O-C-N 122.868 0.931 . . . . 0.0 113.452 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . . . -68.15 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.93 -1.731 . . . . 0.0 112.182 -177.43 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . . . -95.8 -10.49 28.9 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.518 -1.364 . . . . 0.0 112.022 178.714 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . . . -84.83 129.75 34.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 124.341 2.02 . . . . 0.0 115.627 -177.662 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . . . -121.21 115.93 23.95 Favored 'General case' 0 C--O 1.295 3.472 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.135 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . . . -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.451 1.023 . . . . 0.0 109.991 -177.605 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . . . -122.06 131.82 72.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 O-C-N 125.139 1.524 . . . . 0.0 111.888 -177.491 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . . . -144.24 129.69 18.95 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 177.496 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.0 19.5 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 112.185 -2.279 . . . . 0.0 110.764 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.75 21.58 60.97 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.371 2.891 . . . . 0.0 117.513 -179.464 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . . . -115.06 142.65 46.36 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 177.652 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . . . -85.77 130.24 34.61 Favored 'General case' 0 C--O 1.259 1.57 0 N-CA-C 103.833 -2.655 . . . . 0.0 103.833 174.555 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . . . -79.52 138.37 37.49 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.032 -175.904 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . . . -101.83 140.03 36.68 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.11 1.506 . . . . 0.0 109.957 -177.708 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . . . -48.22 -42.23 29.59 Favored 'General case' 0 C--O 1.265 1.909 0 N-CA-C 120.719 3.6 . . . . 0.0 120.719 -175.841 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.86 -8.96 85.14 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 116.133 1.213 . . . . 0.0 116.133 -177.367 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -85.44 165.52 17.11 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 119.994 -1.886 . . . . 0.0 107.944 176.504 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . . . -104.52 164.57 11.65 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 177.128 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . . . -61.24 -36.18 79.26 Favored 'General case' 0 C--O 1.202 -1.433 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.182 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . . . -63.91 -29.67 70.82 Favored 'General case' 0 C--O 1.268 2.032 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.157 -179.489 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . . . -55.56 -39.31 70.46 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 122.43 1.109 . . . . 0.0 110.71 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . . . -91.02 4.67 51.48 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 117.637 -1.173 . . . . 0.0 112.978 179.282 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . . . 57.94 45.33 18.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 121.574 1.988 . . . . 0.0 111.223 179.867 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . . . -88.63 116.39 30.25 Favored 'Isoleucine or valine' 0 C--O 1.268 2.07 0 CA-C-O 115.151 -2.357 . . . . 0.0 106.136 175.88 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . . . -103.4 169.49 8.51 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 126.063 2.102 . . . . 0.0 109.552 -176.901 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' B' ' 63' ' ' LYS . 9.0 ptmm? -54.69 143.05 26.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.244 1.497 . . . . 0.0 109.279 -176.913 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . . . 66.94 19.14 10.64 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 179.469 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . . . -71.12 159.52 34.53 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.766 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . . . -119.2 126.69 52.15 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.919 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . . . -103.16 154.63 19.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 114.76 -2.543 . . . . 0.0 105.694 174.988 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . . . -105.62 135.78 46.41 Favored 'General case' 0 C--N 1.286 -2.195 0 O-C-N 127.397 2.936 . . . . 0.0 105.913 177.909 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . . . -106.99 115.74 30.72 Favored 'General case' 0 C--O 1.283 2.834 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.555 176.568 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . . . -108.1 139.92 28.5 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 175.142 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.214 0.531 . . . . 0.0 109.806 178.422 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 102' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_